4-(3,3-dimethyl-2-oxidanylidene-butyl)-6-(3,5-dimethylpyrazol-1-yl)carbonyl-2-ethyl-1,4-benzoxazin-3-one

Systemtic Name: 4-(3,3-dimethyl-2-oxidanylidene-butyl)-6-(3,5-dimethylpyrazol-1-yl)carbonyl-2-ethyl-1,4-benzoxazin-3-one Openeye Name: 4-(3,3-dimethyl-2-oxo-butyl)-6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-1,4-benzoxazin-3-one CAS Name: 4-(3,3-dimethyl-2-oxobutyl)-6-[(3,5-dimethyl-1-pyrazolyl)-oxomethyl]-2-ethyl-1,4-benzoxazin-3-one IUPAC Name: 4-(3,3-dimethyl-2-oxobutyl)-6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-1,4-benzoxazin-3-one Traditional Name: 6-(3,5-dimethylpyrazole-1-carbonyl)-2-ethyl-4-(2-keto-3,3-dimethyl-butyl)-1,4-benzoxazin-3-one Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3C(=CC(=N3)C)C)CC(=O)C(C)(C)C

Isomeric SMILES

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)N3C(=CC(=N3)C)C)CC(=O)C(C)(C)C

InChI

InChI=1S/C22H27N3O4/c1-7-17-21(28)24(12-19(26)22(4,5)6)16-11-15(8-9-18(16)29-17)20(27)25-14(3)10-13(2)23-25/h8-11,17H,7,12H2,1-6H3