GYO
Summary
| Name: | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide |
| Formula: | C18 H17 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 307.346 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{S},2~{S})-2-(2-methoxyphenyl)cyclopropyl]-3~{H}-benzimidazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17N3O2/c1-23-17-5-3-2-4-12(17)13-9-15(13)21-18(22)11-6-7-14-16(8-11)20-10-19-14/h2-8,10,13,15H,9H2,1H3,(H,19,20)(H,21,22)/t13-,15-/m0/s1 |
| InChIKey | InChI | 1.03 | ZKYVGLRMGWYWNE-ZFWWWQNUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4nc[nH]c4c3 |
| SMILES | CACTVS | 3.385 | COc1ccccc1[CH]2C[CH]2NC(=O)c3ccc4nc[nH]c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccccc1[C@@H]2C[C@@H]2NC(=O)c3ccc4c(c3)[nH]cn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccccc1C2CC2NC(=O)c3ccc4c(c3)[nH]cn4 |
