O3Q
Summary
| Name: | 3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one |
| Formula: | C17 H19 N5 O3 |
| Formal charge: | 0 |
| Formula weight: | 341.364 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-butyl-5-methyl-6-[(2-methyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,2,3-benzotriazin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H19N5O3/c1-4-5-8-22-17(25)14-10(2)11(6-7-13(14)19-20-22)15(23)12-9-18-21(3)16(12)24/h6-7,9,18H,4-5,8H2,1-3H3 |
| InChIKey | InChI | 1.06 | OUDFRWMYZRPLND-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCN1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O |
| SMILES | CACTVS | 3.385 | CCCCN1N=Nc2ccc(c(C)c2C1=O)C(=O)C3=CNN(C)C3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCN1C(=O)c2c(c(ccc2N=N1)C(=O)C3=CNN(C3=O)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCN1C(=O)c2c(c(ccc2N=N1)C(=O)C3=CNN(C3=O)C)C |
