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

Systemtic Name: 2-methyl-4-[1-[4-[2-[(phenylmethyl)-propan-2-yl-amino]ethyl]piperazin-1-yl]hexyl]benzenecarbonitrile Openeye Name: 4-[1-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazin-1-yl]hexyl]-2-methyl-benzonitrile CAS Name: 2-methyl-4-[1-[4-[2-[(phenylmethyl)-propan-2-ylamino]ethyl]-1-piperazinyl]hexyl]benzonitrile IUPAC Name: 4-[1-[4-[2-[benzyl(propan-2-yl)amino]ethyl]piperazin-1-yl]hexyl]-2-methylbenzonitrile Traditional Name: 4-[1-[4-[2-[benzyl(isopropyl)amino]ethyl]piperazino]hexyl]-2-methyl-benzonitrile Formula: C30H44N4 MolecularWeight: 460.69716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCN(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCCCCC(C1=CC(=C(C=C1)C#N)C)N2CCN(CC2)CCN(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C30H44N4/c1-5-6-8-13-30(28-14-15-29(23-31)26(4)22-28)33-19-16-32(17-20-33)18-21-34(25(2)3)24-27-11-9-7-10-12-27/h7,9-12,14-15,22,25,30H,5-6,8,13,16-21,24H2,1-4H3