G2D
N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide
| Created: | 2018-05-02 |
| Last modified: | 2018-07-18 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 54 |
| Chiral Atom Count | 1 |
| Bond Count | 58 |
| Aromatic Bond Count | 17 |
Chemical Component Summary | |
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| Name | N-[(1R)-6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-3-methoxy-4-methylbenzamide |
| Systematic Name (OpenEye OEToolkits) | ~{N}-[(1~{R})-6-(6,7-dihydro-5~{H}-pyrrolo[1,2-a]imidazol-2-yl)-2,3-dihydro-1~{H}-inden-1-yl]-3-methoxy-4-methyl-benzamide |
| Formula | C24 H25 N3 O2 |
| Molecular Weight | 387.474 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c5c(c(cc(C(NC4c3c(ccc(c2cn1c(CCC1)n2)c3)CC4)=O)c5)OC)C |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1C)C(=O)N[CH]2CCc3ccc(cc23)c4cn5CCCc5n4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)C(=O)NC2CCc3c2cc(cc3)c4cn5c(n4)CCC5 |
| Canonical SMILES | CACTVS | 3.385 | COc1cc(ccc1C)C(=O)N[C@@H]2CCc3ccc(cc23)c4cn5CCCc5n4 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1OC)C(=O)N[C@@H]2CCc3c2cc(cc3)c4cn5c(n4)CCC5 |
| InChI | InChI | 1.03 | InChI=1S/C24H25N3O2/c1-15-5-6-18(13-22(15)29-2)24(28)26-20-10-9-16-7-8-17(12-19(16)20)21-14-27-11-3-4-23(27)25-21/h5-8,12-14,20H,3-4,9-11H2,1-2H3,(H,26,28)/t20-/m1/s1 |
| InChIKey | InChI | 1.03 | PHINNLAJTUGZSZ-HXUWFJFHSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 137349382 |
