(Z)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile

Systemtic Name: (Z)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: (Z)-3-(3-methoxy-4-phenethyloxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (Z)-3-(3-methoxy-4-phenethyloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: (Z)-3-(3-methoxy-4-phenethyloxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: (Z)-2-(4-keto-1H-quinazolin-2-yl)-3-(3-methoxy-4-phenethyloxy-phenyl)acrylonitrile Formula: C26H21N3O3 MolecularWeight: 423.46324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OCCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC(=O)C3=CC=CC=C3N2)OCCC4=CC=CC=C4

InChI

InChI=1S/C26H21N3O3/c1-31-24-16-19(11-12-23(24)32-14-13-18-7-3-2-4-8-18)15-20(17-27)25-28-22-10-6-5-9-21(22)26(30)29-25/h2-12,15-16H,13-14H2,1H3,(H,28,29,30)/b20-15-