2-methyl-4-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 4-[1-[4-(2-benzyloxyethyl)piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 2-methyl-4-[1-[4-(2-phenylmethoxyethyl)-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(2-phenylmethoxyethyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 4-[1-[4-(2-benzoxyethyl)piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCOCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O/c1-3-4-6-11-27(25-12-13-26(21-28)23(2)20-25)30-16-14-29(15-17-30)18-19-31-22-24-9-7-5-8-10-24/h5,7-10,12-13,20,27H,3-4,6,11,14-19,22H2,1-2H3