2-methyl-4-[1-[4-(3-phenylpropyl)piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-(3-phenylpropyl)piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-[4-(3-phenylpropyl)piperazin-1-yl]hexyl]benzonitrile CAS Name: 2-methyl-4-[1-[4-(3-phenylpropyl)-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-[4-(3-phenylpropyl)piperazin-1-yl]hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-[4-(3-phenylpropyl)piperazino]hexyl]benzonitrile Formula: C27H37N3 MolecularWeight: 403.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C27H37N3/c1-3-4-6-13-27(25-14-15-26(22-28)23(2)21-25)30-19-17-29(18-20-30)16-9-12-24-10-7-5-8-11-24/h5,7-8,10-11,14-15,21,27H,3-4,6,9,12-13,16-20H2,1-2H3