4-[1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]hexyl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]hexyl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]hexyl]-2-methyl-benzonitrile CAS Name: 4-[1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]hexyl]-2-methylbenzonitrile IUPAC Name: 4-[1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[1-(3-cyanobenzyl)-4-piperidyl]hexyl]-2-methyl-benzonitrile Formula: C27H33N3 MolecularWeight: 399.57102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3/c1-3-4-5-9-27(25-10-11-26(19-29)21(2)16-25)24-12-14-30(15-13-24)20-23-8-6-7-22(17-23)18-28/h6-8,10-11,16-17,24,27H,3-5,9,12-15,20H2,1-2H3