XG7
Summary
| Name: | 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide |
| Synonyms: | 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide |
| Formula: | C18 H18 N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 322.361 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-azanyl-~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C18H18N4O2/c1-12-16(20-17(23)13-7-6-8-14(19)11-13)18(24)22(21(12)2)15-9-4-3-5-10-15/h3-11H,19H2,1-2H3,(H,20,23) |
| InChIKey | InChI | 1.06 | LWAAUSFQUGYCJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3 |
| SMILES | CACTVS | 3.385 | CN1N(C(=O)C(=C1C)NC(=O)c2cccc(N)c2)c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)c3cccc(c3)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)c3cccc(c3)N |
