25G
Summary
| Name: | N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide |
| Formula: | C27 H28 N6 O |
| Formal charge: | 0 |
| Formula weight: | 452.551 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-benzyl-4-(1H-tetrazol-5-yl)phenyl]-6-(cyclohexylmethyl)pyridine-2-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-(cyclohexylmethyl)-N-[2-(phenylmethyl)-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1nc(ccc1)CC2CCCCC2)Nc4c(cc(c3nnnn3)cc4)Cc5ccccc5 |
| InChI | InChI | 1.03 | InChI=1S/C27H28N6O/c34-27(25-13-7-12-23(28-25)17-20-10-5-2-6-11-20)29-24-15-14-21(26-30-32-33-31-26)18-22(24)16-19-8-3-1-4-9-19/h1,3-4,7-9,12-15,18,20H,2,5-6,10-11,16-17H2,(H,29,34)(H,30,31,32,33) |
| InChIKey | InChI | 1.03 | DXIJKKFLXBIMCT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Nc1ccc(cc1Cc2ccccc2)c3[nH]nnn3)c4cccc(CC5CCCCC5)n4 |
| SMILES | CACTVS | 3.385 | O=C(Nc1ccc(cc1Cc2ccccc2)c3[nH]nnn3)c4cccc(CC5CCCCC5)n4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)Cc2cc(ccc2NC(=O)c3cccc(n3)CC4CCCCC4)c5[nH]nnn5 |
