OSN
Summary
| Name: | (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
| Formula: | C25 H31 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 405.533 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H31N3O2/c1-18-16-24(29)27-22-11-6-9-20(25(22)26-18)8-4-3-5-14-28-15-7-10-19-12-13-21(30-2)17-23(19)28/h4,6,8-9,11-13,17-18,26H,3,5,7,10,14-16H2,1-2H3,(H,27,29)/b8-4+/t18-/m1/s1 |
| InChIKey | InChI | 1.03 | VBTDHMQUNCGCSZ-SBLNNXNXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2CCCN(CCC/C=C/c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc(cc4)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)Nc2cccc(c2N1)C=CCCCN3CCCc4c3cc(cc4)OC |
