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

Systemtic Name: 3-(3-methoxy-4-phenylmethoxy-phenyl)-2-(4-oxidanylidene-1H-quinazolin-2-yl)prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-methoxy-phenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)-2-propenenitrile IUPAC Name: 3-(3-methoxy-4-phenylmethoxyphenyl)-2-(4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-2-(4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C25H19N3O3 MolecularWeight: 409.43666

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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)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=O)C3=CC=CC=C3N2)OCC4=CC=CC=C4

InChI

InChI=1S/C25H19N3O3/c1-30-23-14-18(11-12-22(23)31-16-17-7-3-2-4-8-17)13-19(15-26)24-27-21-10-6-5-9-20(21)25(29)28-24/h2-14H,16H2,1H3,(H,27,28,29)