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

Systemtic Name: 3-[2-(1-butanoyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one Openeye Name: 3-[2-(1-butanoyl-4-oxo-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one CAS Name: 6,6-dimethyl-3-[2-[4-oxo-1-(1-oxobutyl)-6-phenyl-6,7-dihydro-5H-indazol-3-yl]ethyl]-5,7-dihydro-1,2-benzoxazol-4-one IUPAC Name: 3-[2-(1-butanoyl-4-oxo-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,6-dimethyl-5,7-dihydro-1,2-benzoxazol-4-one Traditional Name: 3-[2-(1-butyryl-4-keto-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,6-dimethyl-5,7-dihydroindoxazen-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)C3=CC=CC=C3)C(=N1)CCC4=NOC5=C4C(=O)CC(C5)(C)C

Isomeric SMILES

CCCC(=O)N1C2=C(C(=O)CC(C2)C3=CC=CC=C3)C(=N1)CCC4=NOC5=C4C(=O)CC(C5)(C)C

InChI

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