4-[[4-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-keto-1-methyl-2-(4-methylpiperidino)ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H32N4O MolecularWeight: 368.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1CCN(CC1)C(=O)C(C)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H32N4O/c1-18-8-12-26(13-9-18)22(27)19(2)25-11-3-10-24(14-15-25)17-21-6-4-20(16-23)5-7-21/h4-7,18-19H,3,8-15,17H2,1-2H3