A1I34
Summary
| Name: | ~{N}-[3-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]carbonylphenyl]benzamide |
| Formula: | C27 H25 N5 O2 |
| Formal charge: | 0 |
| Formula weight: | 451.52 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[3-[4-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)piperidin-1-yl]carbonylphenyl]benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H25N5O2/c33-26(21-10-5-2-6-11-21)28-23-13-7-12-22(18-23)27(34)32-16-14-20(15-17-32)25-29-24(30-31-25)19-8-3-1-4-9-19/h1-13,18,20H,14-17H2,(H,28,33)(H,29,30,31) |
| InChIKey | InChI | 1.06 | PMGKFAXGJYRVER-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1cccc(c1)C(=O)N2CCC(CC2)c3[nH]c(nn3)c4ccccc4)c5ccccc5 |
| SMILES | CACTVS | 3.385 | O=C(Nc1cccc(c1)C(=O)N2CCC(CC2)c3[nH]c(nn3)c4ccccc4)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2[nH]c(nn2)C3CCN(CC3)C(=O)c4cccc(c4)NC(=O)c5ccccc5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2[nH]c(nn2)C3CCN(CC3)C(=O)c4cccc(c4)NC(=O)c5ccccc5 |
