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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H32N4O/c1-19(22(27)26-12-4-2-3-5-13-26)25-14-6-11-24(15-16-25)18-21-9-7-20(17-23)8-10-21/h7-10,19H,2-6,11-16,18H2,1H3