2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinazolin-4-one

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinazolin-4-one Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)quinazolin-4-one CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-quinazolinone IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinazolin-4-one Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-4-one Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)/C=C/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H22N4O4/c1-18-26(28(34)32(30(18)2)20-8-4-3-5-9-20)31-25(29-22-11-7-6-10-21(22)27(31)33)15-13-19-12-14-23-24(16-19)36-17-35-23/h3-16H,17H2,1-2H3/b15-13+