A1IZK
Summary
| Name: | 1-[4-(3-methyl-4-phenyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanone |
| Formula: | C21 H24 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 336.427 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-(3-methyl-4-phenyl-phenyl)carbonyl-1,4-diazepan-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H24N2O2/c1-16-15-19(9-10-20(16)18-7-4-3-5-8-18)21(25)23-12-6-11-22(13-14-23)17(2)24/h3-5,7-10,15H,6,11-14H2,1-2H3 |
| InChIKey | InChI | 1.06 | FIBAYMYQCFMKFA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCCN(CC1)C(=O)c2ccc(c(C)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCCN(CC1)C(=O)c2ccc(c(C)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2ccccc2)C(=O)N3CCCN(CC3)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(ccc1c2ccccc2)C(=O)N3CCCN(CC3)C(=O)C |
