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

Systemtic Name: (Z)-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxidanylidene-4aH-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-[3-(3-ethoxyphenyl)-1-phenyl-pyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-[3-(3-ethoxyphenyl)-1-phenyl-4-pyrazolyl]-2-(4-oxo-4aH-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-[3-(3-ethoxyphenyl)-1-phenylpyrazol-4-yl]-2-(4-oxo-4aH-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-keto-4aH-quinazolin-2-yl)-3-(3-m-phenetyl-1-phenyl-pyrazol-4-yl)acrylonitrile Formula: C28H21N5O2 MolecularWeight: 459.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NN(C=C2/C=C(/C#N)\C3=NC(=O)C4C=CC=CC4=N3)C5=CC=CC=C5

InChI

InChI=1S/C28H21N5O2/c1-2-35-23-12-8-9-19(16-23)26-21(18-33(32-26)22-10-4-3-5-11-22)15-20(17-29)27-30-25-14-7-6-13-24(25)28(34)31-27/h3-16,18,24H,2H2,1H3/b20-15-