3-[[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(4-cyano-5-methyl-4-phenyl-hexyl)-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-(4-cyano-5-methyl-4-phenylhexyl)-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(4-cyano-5-methyl-4-phenylhexyl)piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-cyano-5-methyl-4-phenyl-hexyl)piperidino]methyl]benzonitrile Formula: C27H33N3 MolecularWeight: 399.57102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCC1CCN(CC1)CC2=CC=CC(=C2)C#N)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCC1CCN(CC1)CC2=CC=CC(=C2)C#N)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H33N3/c1-22(2)27(21-29,26-11-4-3-5-12-26)15-7-10-23-13-16-30(17-14-23)20-25-9-6-8-24(18-25)19-28/h3-6,8-9,11-12,18,22-23H,7,10,13-17,20H2,1-2H3