CWC
Summary
| Name: | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide |
| Formula: | C19 H22 N4 O |
| Formal charge: | 0 |
| Formula weight: | 322.404 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide |
| OpenEye OEToolkits | 1.7.6 | 4-(dimethylamino)-N-[5-(1H-indol-4-yl)pyridin-3-yl]butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc3cc(c1cccc2c1ccn2)cnc3)CCCN(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H22N4O/c1-23(2)10-4-7-19(24)22-15-11-14(12-20-13-15)16-5-3-6-18-17(16)8-9-21-18/h3,5-6,8-9,11-13,21H,4,7,10H2,1-2H3,(H,22,24) |
| InChIKey | InChI | 1.03 | QVBOWRMZONBBIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1cncc(c1)c2cccc3[nH]ccc23 |
| SMILES | CACTVS | 3.385 | CN(C)CCCC(=O)Nc1cncc(c1)c2cccc3[nH]ccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | CN(C)CCCC(=O)Nc1cc(cnc1)c2cccc3c2cc[nH]3 |
