A1IKI
Summary
| Name: | (4~{R})-6-[(~{E})-5-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
| Formula: | C24 H29 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 407.505 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (4~{R})-6-[(~{E})-5-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H29N3O3/c1-17-15-23(28)26-20-9-6-8-18(24(20)25-17)7-4-3-5-12-27-13-14-30-22-11-10-19(29-2)16-21(22)27/h4,6-11,16-17,25H,3,5,12-15H2,1-2H3,(H,26,28)/t17-/m1/s1 |
| InChIKey | InChI | 1.06 | GEUPZGDPLUFWOK-QGZVFWFLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2OCCN(CCC\C=C\c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2OCCN(CCCC=Cc3cccc4NC(=O)C[CH](C)Nc34)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCOc4c3cc(cc4)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1CC(=O)Nc2cccc(c2N1)C=CCCCN3CCOc4c3cc(cc4)OC |
