6-[(4-chlorophenyl)amino]-7-oxidanylidene-1,2,3,4-tetrahydroazepine-5-carbonitrile

Systemtic Name: 6-[(4-chlorophenyl)amino]-7-oxidanylidene-1,2,3,4-tetrahydroazepine-5-carbonitrile Openeye Name: 6-(4-chloroanilino)-7-oxo-1,2,3,4-tetrahydroazepine-5-carbonitrile CAS Name: 6-(4-chloroanilino)-7-oxo-1,2,3,4-tetrahydroazepine-5-carbonitrile IUPAC Name: 6-(4-chloroanilino)-7-oxo-1,2,3,4-tetrahydroazepine-5-carbonitrile Traditional Name: 6-(4-chloroanilino)-7-keto-1,2,3,4-tetrahydroazepine-5-carbonitrile Formula: C13H12ClN3O MolecularWeight: 261.70688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C(=O)NC1)NC2=CC=C(C=C2)Cl)C#N

Isomeric SMILES

C1CC(=C(C(=O)NC1)NC2=CC=C(C=C2)Cl)C#N

InChI

InChI=1S/C13H12ClN3O/c14-10-3-5-11(6-4-10)17-12-9(8-15)2-1-7-16-13(12)18/h3-6,17H,1-2,7H2,(H,16,18)