1-[(E)-4-(3-methoxyphenyl)-4-pyridin-3-yl-but-3-enyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[(E)-4-(3-methoxyphenyl)-4-pyridin-3-yl-but-3-enyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[(E)-4-(3-methoxyphenyl)-4-(3-pyridyl)but-3-enyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[(E)-4-(3-methoxyphenyl)-4-(3-pyridinyl)but-3-enyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[(E)-4-(3-methoxyphenyl)-4-pyridin-3-ylbut-3-enyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[(E)-4-(3-methoxyphenyl)-4-(3-pyridyl)but-3-enyl]-4-phenyl-isonipecotonitrile Formula: C28H29N3O MolecularWeight: 423.54936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=CCCN2CCC(CC2)(C#N)C3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)/C(=C\CCN2CCC(CC2)(C#N)C3=CC=CC=C3)/C4=CN=CC=C4

InChI

InChI=1S/C28H29N3O/c1-32-26-12-5-8-23(20-26)27(24-9-6-16-30-21-24)13-7-17-31-18-14-28(22-29,15-19-31)25-10-3-2-4-11-25/h2-6,8-13,16,20-21H,7,14-15,17-19H2,1H3/b27-13+