(E)-N-(5-chloranyl-2-methyl-phenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-chloranyl-2-methyl-phenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-N-(5-chloro-2-methyl-phenyl)-2-cyano-3-[4-(1-piperidyl)phenyl]prop-2-enamide CAS Name: (E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[4-(1-piperidinyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-(4-piperidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-N-(5-chloro-2-methyl-phenyl)-2-cyano-3-(4-piperidinophenyl)acrylamide Formula: C22H22ClN3O MolecularWeight: 379.88258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)/C(=C/C2=CC=C(C=C2)N3CCCCC3)/C#N

InChI

InChI=1S/C22H22ClN3O/c1-16-5-8-19(23)14-21(16)25-22(27)18(15-24)13-17-6-9-20(10-7-17)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,27)/b18-13+