(2E)-2-[[6-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]octanamide

Systemtic Name: (2E)-2-[[6-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]octanamide Openeye Name: (2E)-2-[[6-[4-(2-phenylphenyl)piperazin-1-yl]-3-pyridyl]methylene]octanamide CAS Name: (2E)-2-[[6-[4-(2-phenylphenyl)-1-piperazinyl]-3-pyridinyl]methylidene]octanamide IUPAC Name: (2E)-2-[[6-[4-(2-phenylphenyl)piperazin-1-yl]pyridin-3-yl]methylidene]octanamide Traditional Name: (E)-2-hexyl-3-[6-[4-(2-phenylphenyl)piperazino]-3-pyridyl]acrylamide Formula: C30H36N4O MolecularWeight: 468.63304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H36N4O/c1-2-3-4-6-13-26(30(31)35)22-24-16-17-29(32-23-24)34-20-18-33(19-21-34)28-15-10-9-14-27(28)25-11-7-5-8-12-25/h5,7-12,14-17,22-23H,2-4,6,13,18-21H2,1H3,(H2,31,35)/b26-22+