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

Systemtic Name: 2-methyl-4-[1-(4-phenylpiperazin-1-yl)hexyl]benzenecarbonitrile Openeye Name: 2-methyl-4-[1-(4-phenylpiperazin-1-yl)hexyl]benzonitrile CAS Name: 2-methyl-4-[1-(4-phenyl-1-piperazinyl)hexyl]benzonitrile IUPAC Name: 2-methyl-4-[1-(4-phenylpiperazin-1-yl)hexyl]benzonitrile Traditional Name: 2-methyl-4-[1-(4-phenylpiperazino)hexyl]benzonitrile Formula: C24H31N3 MolecularWeight: 361.52304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3/c1-3-4-6-11-24(21-12-13-22(19-25)20(2)18-21)27-16-14-26(15-17-27)23-9-7-5-8-10-23/h5,7-10,12-13,18,24H,3-4,6,11,14-17H2,1-2H3