1-[3,3-bis(3-chloranyl-4-methyl-phenyl)-3-pyridin-3-yl-propyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3,3-bis(3-chloranyl-4-methyl-phenyl)-3-pyridin-3-yl-propyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3,3-bis(3-chloro-4-methyl-phenyl)-3-(3-pyridyl)propyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3,3-bis(3-chloro-4-methylphenyl)-3-(3-pyridinyl)propyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3,3-bis(3-chloro-4-methylphenyl)-3-pyridin-3-ylpropyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3,3-bis(3-chloro-4-methyl-phenyl)-3-(3-pyridyl)propyl]-4-phenyl-isonipecotonitrile Formula: C34H33Cl2N3 MolecularWeight: 554.55192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(CCN2CCC(CC2)(C#N)C3=CC=CC=C3)(C4=CC(=C(C=C4)C)Cl)C5=CN=CC=C5)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(CCN2CCC(CC2)(C#N)C3=CC=CC=C3)(C4=CC(=C(C=C4)C)Cl)C5=CN=CC=C5)Cl

InChI

InChI=1S/C34H33Cl2N3/c1-25-10-12-28(21-31(25)35)34(30-9-6-17-38-23-30,29-13-11-26(2)32(36)22-29)16-20-39-18-14-33(24-37,15-19-39)27-7-4-3-5-8-27/h3-13,17,21-23H,14-16,18-20H2,1-2H3