F6E
Summary
| Name: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one |
| Formula: | C25 H28 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 416.515 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C25H28N4O2/c1-2-12-28-13-14-29(25(31)23-16-26-18-27-23)17-22(24(28)30)15-19-8-10-21(11-9-19)20-6-4-3-5-7-20/h3-11,16,18,22H,2,12-15,17H2,1H3,(H,26,27)/t22-/m0/s1 |
| InChIKey | InChI | 1.03 | NXIUWTFGGYLRTA-QFIPXVFZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCN1CCN(C[C@H](Cc2ccc(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4 |
| SMILES | CACTVS | 3.385 | CCCN1CCN(C[CH](Cc2ccc(cc2)c3ccccc3)C1=O)C(=O)c4c[nH]cn4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCN1CCN(C[C@@H](C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCN1CCN(CC(C1=O)Cc2ccc(cc2)c3ccccc3)C(=O)c4c[nH]cn4 |
