D4Z
Summary
| Name: | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide |
| Formula: | C20 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 334.415 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H22N4O/c21-20(25)15-8-9-17(23-14-7-4-10-22-12-14)16-11-18(24-19(15)16)13-5-2-1-3-6-13/h1-3,5-6,8-9,11,14,22-24H,4,7,10,12H2,(H2,21,25)/t14-/m0/s1 |
| InChIKey | InChI | 1.03 | AQEDGKFVSWOMSY-AWEZNQCLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(N[C@H]2CCCNC2)c3cc([nH]c13)c4ccccc4 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(N[CH]2CCCNC2)c3cc([nH]c13)c4ccccc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)N[C@H]4CCCNC4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)c2cc3c(ccc(c3[nH]2)C(=O)N)NC4CCCNC4 |
