1-[3,3-bis(4-chlorophenyl)-3-pyridin-3-yl-propyl]-4-(4-methylphenyl)piperidine-4-carbonitrile

Systemtic Name: 1-[3,3-bis(4-chlorophenyl)-3-pyridin-3-yl-propyl]-4-(4-methylphenyl)piperidine-4-carbonitrile Openeye Name: 1-[3,3-bis(4-chlorophenyl)-3-(3-pyridyl)propyl]-4-(p-tolyl)piperidine-4-carbonitrile CAS Name: 1-[3,3-bis(4-chlorophenyl)-3-(3-pyridinyl)propyl]-4-(4-methylphenyl)-4-piperidinecarbonitrile IUPAC Name: 1-[3,3-bis(4-chlorophenyl)-3-pyridin-3-ylpropyl]-4-(4-methylphenyl)piperidine-4-carbonitrile Traditional Name: 1-[3,3-bis(4-chlorophenyl)-3-(3-pyridyl)propyl]-4-(p-tolyl)isonipecotonitrile Formula: C33H31Cl2N3 MolecularWeight: 540.52534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCN(CC2)CCC(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)C5=CN=CC=C5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCN(CC2)CCC(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)C5=CN=CC=C5)C#N

InChI

InChI=1S/C33H31Cl2N3/c1-25-4-6-26(7-5-25)32(24-36)16-20-38(21-17-32)22-18-33(29-3-2-19-37-23-29,27-8-12-30(34)13-9-27)28-10-14-31(35)15-11-28/h2-15,19,23H,16-18,20-22H2,1H3