82F
Summary
| Name: | N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide |
| Formula: | C27 H38 N6 O2 |
| Formal charge: | 0 |
| Formula weight: | 478.63 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[2-[(2~{S})-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5~{H}-pyrido[2,3-b][1,4]benzodiazepine-11-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C27H38N6O2/c1-3-16-31(17-4-2)20-21-10-7-8-18-32(21)19-15-29-27(35)33-24-13-6-5-11-22(24)26(34)30-23-12-9-14-28-25(23)33/h5-6,9,11-14,21H,3-4,7-8,10,15-20H2,1-2H3,(H,29,35)(H,30,34)/t21-/m0/s1 |
| InChIKey | InChI | 1.03 | MZDYABXXPZNUCT-NRFANRHFSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24 |
| SMILES | CACTVS | 3.385 | CCCN(CCC)C[CH]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4cccnc24 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN(CCC)C[C@@H]1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCN(CCC)CC1CCCCN1CCNC(=O)N2c3ccccc3C(=O)Nc4c2nccc4 |
