JZL
Summary
| Name: | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide |
| Formula: | C23 H28 Cl N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 441.954 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide |
| OpenEye OEToolkits | 1.6.1 | 7-azanyl-2-[(2-chlorophenyl)methylamino]-1-[[(1S,2S)-2-hydroxycycloheptyl]methyl]benzimidazole-5-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Clc1ccccc1CNc3nc2cc(cc(c2n3CC4CCCCCC4O)N)C(=O)N |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=O)c1cc(N)c2n(C[C@@H]3CCCCC[C@@H]3O)c(NCc4ccccc4Cl)nc2c1 |
| SMILES | CACTVS | 3.352 | NC(=O)c1cc(N)c2n(C[CH]3CCCCC[CH]3O)c(NCc4ccccc4Cl)nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CNc2nc3cc(cc(c3n2C[C@@H]4CCCCC[C@@H]4O)N)C(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(c(c1)CNc2nc3cc(cc(c3n2CC4CCCCCC4O)N)C(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C23H28ClN5O2/c24-17-8-5-4-6-14(17)12-27-23-28-19-11-16(22(26)31)10-18(25)21(19)29(23)13-15-7-2-1-3-9-20(15)30/h4-6,8,10-11,15,20,30H,1-3,7,9,12-13,25H2,(H2,26,31)(H,27,28)/t15-,20-/m0/s1 |
| InChIKey | InChI | 1.03 | AQAQDMCJHAROPH-YWZLYKJASA-N |
