(E)-3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-3-[3-(4-butoxy-3-methylphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[3-(4-butoxy-3-methylphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[3-(4-butoxy-3-methyl-phenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C31H27N5O2 MolecularWeight: 501.57838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5)C

InChI

InChI=1S/C31H27N5O2/c1-3-4-16-38-28-15-14-22(17-21(28)2)29-24(20-36(35-29)25-10-6-5-7-11-25)18-23(19-32)30-33-27-13-9-8-12-26(27)31(37)34-30/h5-15,17-18,20H,3-4,16H2,1-2H3,(H,33,34,37)/b23-18+