2-methyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[1-(phenylmethyl)piperidin-4-yl]hexyl]benzenecarbonitrile Openeye Name: 4-[1-(1-benzyl-4-piperidyl)hexyl]-2-methyl-benzonitrile CAS Name: 2-methyl-4-[1-[1-(phenylmethyl)-4-piperidinyl]hexyl]benzonitrile IUPAC Name: 4-[1-(1-benzylpiperidin-4-yl)hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-(1-benzyl-4-piperidyl)hexyl]-2-methyl-benzonitrile Formula: C26H34N2 MolecularWeight: 374.56156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1CCN(CC1)CC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCC(C1CCN(CC1)CC2=CC=CC=C2)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C26H34N2/c1-3-4-6-11-26(24-12-13-25(19-27)21(2)18-24)23-14-16-28(17-15-23)20-22-9-7-5-8-10-22/h5,7-10,12-13,18,23,26H,3-4,6,11,14-17,20H2,1-2H3