2-methyl-4-[1-[4-[2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile

Systemtic Name: 2-methyl-4-[1-[4-[2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 4-[1-[4-[2-(benzylamino)ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 4-[1-[4-[2-(benzylamino)ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-(benzylamino)ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C27H38N4 MolecularWeight: 418.61742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCNCC3=CC=CC=C3

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCNCC3=CC=CC=C3

InChI

InChI=1S/C27H38N4/c1-3-4-6-11-27(25-12-13-26(21-28)23(2)20-25)31-18-16-30(17-19-31)15-14-29-22-24-9-7-5-8-10-24/h5,7-10,12-13,20,27,29H,3-4,6,11,14-19,22H2,1-2H3