A1E6C
Summary
| Name: | Zoniporide |
| Formula: | C17 H16 N6 O |
| Formal charge: | 0 |
| Formula weight: | 320.349 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-carbamimidoyl-5-cyclopropyl-1-quinolin-5-yl-pyrazole-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H16N6O/c18-17(19)22-16(24)12-9-21-23(15(12)10-6-7-10)14-5-1-4-13-11(14)3-2-8-20-13/h1-5,8-10H,6-7H2,(H4,18,19,22,24) |
| InChIKey | InChI | 1.06 | GDXBRVCQGGKXJY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NC(=O)c1cnn(c2cccc3ncccc23)c1C4CC4 |
| SMILES | CACTVS | 3.385 | NC(=N)NC(=O)c1cnn(c2cccc3ncccc23)c1C4CC4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NC(=O)c1cnn(c1C2CC2)c3cccc4c3cccn4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cccn2)c(c1)n3c(c(cn3)C(=O)NC(=N)N)C4CC4 |
