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

Systemtic Name: 4-[[2-(azepan-1-yl)-2-oxidanylidene-ethyl]amino]-2-chloranyl-benzenecarbonitrile Openeye Name: 4-[[2-(azepan-1-yl)-2-oxo-ethyl]amino]-2-chloro-benzonitrile CAS Name: 4-[[2-(1-azepanyl)-2-oxoethyl]amino]-2-chlorobenzonitrile IUPAC Name: 4-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-chlorobenzonitrile Traditional Name: 4-[[2-(azepan-1-yl)-2-keto-ethyl]amino]-2-chloro-benzonitrile Formula: C15H18ClN3O MolecularWeight: 291.77592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CNC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CNC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H18ClN3O/c16-14-9-13(6-5-12(14)10-17)18-11-15(20)19-7-3-1-2-4-8-19/h5-6,9,18H,1-4,7-8,11H2