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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C=C2/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5

InChI

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