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

Systemtic Name: (2E)-2-[[4-(2-phenylphenyl)carbonylpyridin-3-yl]-piperazin-1-yl-methylidene]hexanamide Openeye Name: (2E)-2-[[4-(2-phenylbenzoyl)-3-pyridyl]-piperazin-1-yl-methylene]hexanamide CAS Name: (2E)-2-[[4-[oxo-(2-phenylphenyl)methyl]-3-pyridinyl]-(1-piperazinyl)methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(2-phenylbenzoyl)pyridin-3-yl]-piperazin-1-ylmethylidene]hexanamide Traditional Name: (E)-2-butyl-3-[4-(2-phenylbenzoyl)-3-pyridyl]-3-piperazino-acrylamide Formula: C29H32N4O2 MolecularWeight: 468.58998

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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)N4CCNCC4)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3)\N4CCNCC4)/C(=O)N

InChI

InChI=1S/C29H32N4O2/c1-2-3-11-25(29(30)35)27(33-18-16-31-17-19-33)26-20-32-15-14-24(26)28(34)23-13-8-7-12-22(23)21-9-5-4-6-10-21/h4-10,12-15,20,31H,2-3,11,16-19H2,1H3,(H2,30,35)/b27-25+