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

Systemtic Name: 3-[2-(1-butanoyl-4-oxidanylidene-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one Openeye Name: 3-[2-(1-butanoyl-4-oxo-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one CAS Name: 3-[2-[4-oxo-1-(1-oxobutyl)-6-phenyl-6,7-dihydro-5H-indazol-3-yl]ethyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one IUPAC Name: 3-[2-(1-butanoyl-4-oxo-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,7-dihydro-5H-1,2-benzoxazol-4-one Traditional Name: 3-[2-(1-butyryl-4-keto-6-phenyl-6,7-dihydro-5H-indazol-3-yl)ethyl]-6,7-dihydro-5H-indoxazen-4-one Formula: C26H27N3O4 MolecularWeight: 445.51028

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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)CCC5

Isomeric SMILES

CCCC(=O)N1C2=C(C(=O)CC(C2)C3=CC=CC=C3)C(=N1)CCC4=NOC5=C4C(=O)CCC5

InChI

InChI=1S/C26H27N3O4/c1-2-7-24(32)29-20-14-17(16-8-4-3-5-9-16)15-22(31)25(20)18(27-29)12-13-19-26-21(30)10-6-11-23(26)33-28-19/h3-5,8-9,17H,2,6-7,10-15H2,1H3