3-[2-(1-butanoyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-3-yl)ethyl]-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one

Systemtic Name: 3-[2-(1-butanoyl-6,6-dimethyl-4-oxidanylidene-5,7-dihydroindazol-3-yl)ethyl]-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one Openeye Name: 3-[2-(1-butanoyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl)ethyl]-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one CAS Name: 3-[2-[6,6-dimethyl-4-oxo-1-(1-oxobutyl)-5,7-dihydroindazol-3-yl]ethyl]-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one IUPAC Name: 3-[2-(1-butanoyl-6,6-dimethyl-4-oxo-5,7-dihydroindazol-3-yl)ethyl]-6-phenyl-6,7-dihydro-5H-1,2-benzoxazol-4-one Traditional Name: 3-[2-(1-butyryl-4-keto-6,6-dimethyl-5,7-dihydroindazol-3-yl)ethyl]-6-phenyl-6,7-dihydro-5H-indoxazen-4-one Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C2=C(C(=O)CC(C2)(C)C)C(=N1)CCC3=NOC4=C3C(=O)CC(C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(=O)N1C2=C(C(=O)CC(C2)(C)C)C(=N1)CCC3=NOC4=C3C(=O)CC(C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O4/c1-4-8-25(34)31-21-15-28(2,3)16-23(33)26(21)19(29-31)11-12-20-27-22(32)13-18(14-24(27)35-30-20)17-9-6-5-7-10-17/h5-7,9-10,18H,4,8,11-16H2,1-3H3