(2E)-2-[[5-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]heptanamide

Systemtic Name: (2E)-2-[[5-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]heptanamide Openeye Name: (2E)-2-[[5-[4-(2-phenylphenyl)piperazin-1-yl]-3-pyridyl]methylene]heptanamide CAS Name: (2E)-2-[[5-[4-(2-phenylphenyl)-1-piperazinyl]-3-pyridinyl]methylidene]heptanamide IUPAC Name: (2E)-2-[[5-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]heptanamide Traditional Name: (E)-2-amyl-3-[5-[4-(2-phenylphenyl)piperazino]-3-pyridyl]acrylamide Formula: C29H34N4O MolecularWeight: 454.60646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC1=CC(=CN=C1)N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4)C(=O)N

Isomeric SMILES

CCCCC/C(=C\C1=CC(=CN=C1)N2CCN(CC2)C3=CC=CC=C3C4=CC=CC=C4)/C(=O)N

InChI

InChI=1S/C29H34N4O/c1-2-3-5-12-25(29(30)34)19-23-20-26(22-31-21-23)32-15-17-33(18-16-32)28-14-9-8-13-27(28)24-10-6-4-7-11-24/h4,6-11,13-14,19-22H,2-3,5,12,15-18H2,1H3,(H2,30,34)/b25-19+