(E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)-N-quinolin-5-yl-prop-2-enamide hydrochloride

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)-N-quinolin-5-yl-prop-2-enamide hydrochloride Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-N-(5-quinolyl)prop-2-enamide hydrochloride CAS Name: (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-(5-quinolinyl)-2-propenamide hydrochloride IUPAC Name: (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide hydrochloride Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-N-(5-quinolyl)acrylamide hydrochloride Formula: C27H22ClN3O3 MolecularWeight: 471.93488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC=CC3=C2C=CC=N3)OCC4=CC=CC=C4.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3)OCC4=CC=CC=C4.Cl

InChI

InChI=1S/C27H21N3O3.ClH/c1-32-26-16-20(12-13-25(26)33-18-19-7-3-2-4-8-19)15-21(17-28)27(31)30-24-11-5-10-23-22(24)9-6-14-29-23;/h2-16H,18H2,1H3,(H,30,31);1H/b21-15+;