(2E)-2-[[4-(2-phenylphenyl)carbonylpyridin-3-yl]-piperidin-1-yl-methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(2-phenylphenyl)carbonylpyridin-3-yl]-piperidin-1-yl-methylidene]hexanamide Openeye Name: (2E)-2-[[4-(2-phenylbenzoyl)-3-pyridyl]-(1-piperidyl)methylene]hexanamide CAS Name: (2E)-2-[[4-[oxo-(2-phenylphenyl)methyl]-3-pyridinyl]-(1-piperidinyl)methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(2-phenylbenzoyl)pyridin-3-yl]-piperidin-1-ylmethylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(2-phenylbenzoyl)-3-pyridyl]-3-piperidino-acrylamide Formula: C30H33N3O2 MolecularWeight: 467.60192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3)N4CCCCC4)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3)\N4CCCCC4)/C(=O)N

InChI

InChI=1S/C30H33N3O2/c1-2-3-14-26(30(31)35)28(33-19-10-5-11-20-33)27-21-32-18-17-25(27)29(34)24-16-9-8-15-23(24)22-12-6-4-7-13-22/h4,6-9,12-13,15-18,21H,2-3,5,10-11,14,19-20H2,1H3,(H2,31,35)/b28-26+