2-chloranyl-4-[(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-4-[(2-oxidanylideneazepan-3-yl)amino]benzenecarbonitrile Openeye Name: 2-chloro-4-[(2-oxoazepan-3-yl)amino]benzonitrile CAS Name: 2-chloro-4-[(2-oxo-3-azepanyl)amino]benzonitrile IUPAC Name: 2-chloro-4-[(2-oxoazepan-3-yl)amino]benzonitrile Traditional Name: 2-chloro-4-[(2-ketoazepan-3-yl)amino]benzonitrile Formula: C13H14ClN3O MolecularWeight: 263.72276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1CCNC(=O)C(C1)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C13H14ClN3O/c14-11-7-10(5-4-9(11)8-15)17-12-3-1-2-6-16-13(12)18/h4-5,7,12,17H,1-3,6H2,(H,16,18)