(E)-2-cyano-N-(4-piperidin-1-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide hydrochloride

Systemtic Name: (E)-2-cyano-N-(4-piperidin-1-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide hydrochloride Openeye Name: (E)-2-cyano-3-(4-isopropylphenyl)-N-[4-(1-piperidyl)phenyl]prop-2-enamide hydrochloride CAS Name: (E)-2-cyano-N-[4-(1-piperidinyl)phenyl]-3-(4-propan-2-ylphenyl)-2-propenamide hydrochloride IUPAC Name: (E)-2-cyano-N-(4-piperidin-1-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide hydrochloride Traditional Name: (E)-2-cyano-3-p-cumenyl-N-(4-piperidinophenyl)acrylamide hydrochloride Formula: C24H28ClN3O MolecularWeight: 409.95162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)N3CCCCC3.Cl

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)N3CCCCC3.Cl

InChI

InChI=1S/C24H27N3O.ClH/c1-18(2)20-8-6-19(7-9-20)16-21(17-25)24(28)26-22-10-12-23(13-11-22)27-14-4-3-5-15-27;/h6-13,16,18H,3-5,14-15H2,1-2H3,(H,26,28);1H/b21-16+;