4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[2-(azepan-1-yl)-1-methyl-2-oxo-ethyl]amino]benzonitrile CAS Name: 4-[[1-(1-azepanyl)-1-oxopropan-2-yl]amino]benzonitrile IUPAC Name: 4-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]benzonitrile Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-1-methyl-ethyl]amino]benzonitrile Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H21N3O/c1-13(16(20)19-10-4-2-3-5-11-19)18-15-8-6-14(12-17)7-9-15/h6-9,13,18H,2-5,10-11H2,1H3