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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=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=CC(=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/c1-3-4-16-38-25-14-15-26(21(2)17-25)29-23(20-36(35-29)24-10-6-5-7-11-24)18-22(19-32)30-33-28-13-9-8-12-27(28)31(37)34-30/h5-15,17-18,20H,3-4,16H2,1-2H3,(H,33,34,37)/b22-18+