(E)-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)prop-2-enenitrile CAS Name: (E)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(6-chloro-4-oxo-1H-quinazolin-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-(6-chloro-4-keto-1H-quinazolin-2-yl)acrylonitrile Formula: C25H18ClN3O3 MolecularWeight: 443.88172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=CC(=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C25H18ClN3O3/c1-31-23-12-17(7-10-22(23)32-15-16-5-3-2-4-6-16)11-18(14-27)24-28-21-9-8-19(26)13-20(21)25(30)29-24/h2-13H,15H2,1H3,(H,28,29,30)/b18-11+