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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NN(C=C3/C=C(\C#N)/C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6

InChI

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