(E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-quinolin-5-yl-prop-2-enamide hydrochloride

Systemtic Name: (E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-quinolin-5-yl-prop-2-enamide hydrochloride Openeye Name: (E)-3-(4-benzyloxyphenyl)-2-cyano-N-(5-quinolyl)prop-2-enamide hydrochloride CAS Name: (E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-(5-quinolinyl)-2-propenamide hydrochloride IUPAC Name: (E)-2-cyano-3-(4-phenylmethoxyphenyl)-N-quinolin-5-ylprop-2-enamide hydrochloride Traditional Name: (E)-3-(4-benzoxyphenyl)-2-cyano-N-(5-quinolyl)acrylamide hydrochloride Formula: C26H20ClN3O2 MolecularWeight: 441.9089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC4=C3C=CC=N4.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC4=C3C=CC=N4.Cl

InChI

InChI=1S/C26H19N3O2.ClH/c27-17-21(26(30)29-25-10-4-9-24-23(25)8-5-15-28-24)16-19-11-13-22(14-12-19)31-18-20-6-2-1-3-7-20;/h1-16H,18H2,(H,29,30);1H/b21-16+;