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

Systemtic Name: 4-[[4-[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H34N4O MolecularWeight: 382.54226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)N2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H34N4O/c1-3-22-7-4-5-14-27(22)23(28)19(2)26-13-6-12-25(15-16-26)18-21-10-8-20(17-24)9-11-21/h8-11,19,22H,3-7,12-16,18H2,1-2H3