QD5
Summary
| Name: | ~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide |
| Formula: | C20 H20 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 364.398 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C20H20N4O3/c1-21-19(26)16-9-13(18(25)23-14-5-6-14)11-24(20(16)27)10-12-3-2-4-17-15(12)7-8-22-17/h2-4,7-9,11,14,22H,5-6,10H2,1H3,(H,21,26)(H,23,25) |
| InChIKey | InChI | 1.03 | PDCBJZVPIGAEBL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)C1=CC(=CN(Cc2cccc3[nH]ccc23)C1=O)C(=O)NC4CC4 |
| SMILES | CACTVS | 3.385 | CNC(=O)C1=CC(=CN(Cc2cccc3[nH]ccc23)C1=O)C(=O)NC4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)C1=CC(=CN(C1=O)Cc2cccc3c2cc[nH]3)C(=O)NC4CC4 |
