2-chloranyl-6-[[(3R)-2-oxidanylideneazepan-3-yl]amino]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[[(3R)-2-oxidanylideneazepan-3-yl]amino]benzenecarbonitrile Openeye Name: 2-chloro-6-[[(3R)-2-oxoazepan-3-yl]amino]benzonitrile CAS Name: 2-chloro-6-[[(3R)-2-oxo-3-azepanyl]amino]benzonitrile IUPAC Name: 2-chloro-6-[[(3R)-2-oxoazepan-3-yl]amino]benzonitrile Traditional Name: 2-chloro-6-[[(3R)-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=C(C(=CC=C2)Cl)C#N

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)NC2=C(C(=CC=C2)Cl)C#N

InChI

InChI=1S/C13H14ClN3O/c14-10-4-3-6-11(9(10)8-15)17-12-5-1-2-7-16-13(12)18/h3-4,6,12,17H,1-2,5,7H2,(H,16,18)/t12-/m1/s1