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

Systemtic Name: (2E)-2-[[6-[4-(diphenylmethyl)piperazin-1-yl]pyridin-3-yl]methylidene]octanamide Openeye Name: (2E)-2-[[6-(4-benzhydrylpiperazin-1-yl)-3-pyridyl]methylene]octanamide CAS Name: (2E)-2-[[6-[4-(diphenylmethyl)-1-piperazinyl]-3-pyridinyl]methylidene]octanamide IUPAC Name: (2E)-2-[[6-(4-benzhydrylpiperazin-1-yl)pyridin-3-yl]methylidene]octanamide Traditional Name: (E)-3-[6-(4-benzhydrylpiperazino)-3-pyridyl]-2-hexyl-acrylamide Formula: C31H38N4O MolecularWeight: 482.65962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H38N4O/c1-2-3-4-7-16-28(31(32)36)23-25-17-18-29(33-24-25)34-19-21-35(22-20-34)30(26-12-8-5-9-13-26)27-14-10-6-11-15-27/h5-6,8-15,17-18,23-24,30H,2-4,7,16,19-22H2,1H3,(H2,32,36)/b28-23+