K0Q
Summary
| Name: | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide |
| Formula: | C17 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 311.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[2-(1~{H}-indol-3-yl)ethyl]-2-(3-oxidanyl-2-oxidanylidene-pyridin-1-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17N3O3/c21-15-6-3-9-20(17(15)23)11-16(22)18-8-7-12-10-19-14-5-2-1-4-13(12)14/h1-6,9-10,19,21H,7-8,11H2,(H,18,22) |
| InChIKey | InChI | 1.03 | NRCSONGNAATKNC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O |
| SMILES | CACTVS | 3.385 | OC1=CC=CN(CC(=O)NCCc2c[nH]c3ccccc23)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(c[nH]2)CCNC(=O)CN3C=CC=C(C3=O)O |
