O4C
Summary
| Name: | 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one |
| Formula: | C16 H17 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 327.338 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C16H17N5O3/c1-8(2)21-16(24)13-9(3)10(5-6-12(13)18-19-21)14(22)11-7-17-20(4)15(11)23/h5-8,17H,1-4H3 |
| InChIKey | InChI | 1.06 | FOOUWGAVLDWNOL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O |
| SMILES | CACTVS | 3.385 | CC(C)N1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(N=N2)C(C)C)C(=O)C3=CNN(C3=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(N=N2)C(C)C)C(=O)C3=CNN(C3=O)C |
