3-[[4-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-yl]piperidin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-1-piperidyl]methyl]benzonitrile CAS Name: 3-[[4-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-piperazinyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]piperidin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[4-[4-(dimethylamino)benzoyl]piperazino]piperidino]methyl]benzonitrile Formula: C26H33N5O MolecularWeight: 431.57312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H33N5O/c1-28(2)24-8-6-23(7-9-24)26(32)31-16-14-30(15-17-31)25-10-12-29(13-11-25)20-22-5-3-4-21(18-22)19-27/h3-9,18,25H,10-17,20H2,1-2H3