(Z)-2-(4-oxidanylidene-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-oxidanylidene-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-benzyloxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-2-(4-oxo-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)-4-pyrazolyl]-2-propenenitrile IUPAC Name: (Z)-2-(4-oxo-4aH-quinazolin-2-yl)-3-[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]prop-2-enenitrile Traditional Name: (Z)-3-[3-(3-benzoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-keto-4aH-quinazolin-2-yl)acrylonitrile Formula: C33H23N5O2 MolecularWeight: 521.56802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5C=CC=CC5=N4)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C3=NN(C=C3/C=C(/C#N)\C4=NC(=O)C5C=CC=CC5=N4)C6=CC=CC=C6

InChI

InChI=1S/C33H23N5O2/c34-20-25(32-35-30-17-8-7-16-29(30)33(39)36-32)18-26-21-38(27-13-5-2-6-14-27)37-31(26)24-12-9-15-28(19-24)40-22-23-10-3-1-4-11-23/h1-19,21,29H,22H2/b25-18-