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

Systemtic Name: 3-[[cycloheptyl-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]amino]methyl]benzenecarbonitrile Openeye Name: 3-[[2-(4-benzylpiperazin-1-yl)ethyl-cycloheptyl-amino]methyl]benzonitrile CAS Name: 3-[[cycloheptyl-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]methyl]benzonitrile IUPAC Name: 3-[[2-(4-benzylpiperazin-1-yl)ethyl-cycloheptylamino]methyl]benzonitrile Traditional Name: 3-[[2-(4-benzylpiperazino)ethyl-cycloheptyl-amino]methyl]benzonitrile Formula: C28H38N4 MolecularWeight: 430.62812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCCC(CC1)N(CCN2CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H38N4/c29-22-26-11-8-12-27(21-26)24-32(28-13-6-1-2-7-14-28)20-19-30-15-17-31(18-16-30)23-25-9-4-3-5-10-25/h3-5,8-12,21,28H,1-2,6-7,13-20,23-24H2