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

Systemtic Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-quinolin-5-yl-prop-2-enamide hydrochloride Openeye Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(5-quinolyl)prop-2-enamide hydrochloride CAS Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(5-quinolinyl)-2-propenamide hydrochloride IUPAC Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-quinolin-5-ylprop-2-enamide hydrochloride Traditional Name: (E)-2-cyano-3-(2,4-dipropoxyphenyl)-N-(5-quinolyl)acrylamide hydrochloride Formula: C25H26ClN3O3 MolecularWeight: 451.94524

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC3=C2C=CC=N3)OCCC.Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC3=C2C=CC=N3)OCCC.Cl

InChI

InChI=1S/C25H25N3O3.ClH/c1-3-13-30-20-11-10-18(24(16-20)31-14-4-2)15-19(17-26)25(29)28-23-9-5-8-22-21(23)7-6-12-27-22;/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,28,29);1H/b19-15+;