UZT
Summary
| Name: | (2S)-1-(4-azanylpiperidin-1-yl)carbonyl-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide |
| Synonyms: | (2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
| Formula: | C22 H31 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 413.513 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-(4-azanylpiperidin-1-yl)carbonyl-~{N}-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzodiazepine-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C22H31N5O3/c1-14-12-20(28)25-18-13-16(21(29)24-9-6-15-2-3-15)4-5-19(18)27(14)22(30)26-10-7-17(23)8-11-26/h4-5,13-15,17H,2-3,6-12,23H2,1H3,(H,24,29)(H,25,28)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | YEYZZZLQSMITHG-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O)NCCC4CC4 |
| SMILES | CACTVS | 3.385 | C[CH]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(N)CC3)C(=O)NCCC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)Nc2cc(ccc2N1C(=O)N3CCC(CC3)N)C(=O)NCCC4CC4 |
