N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-cyano-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-4-cyano-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-cyano-benzamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-4-cyanobenzamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-4-cyanobenzamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-4-cyano-benzamide Formula: C20H20ClN3O MolecularWeight: 353.8453

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20ClN3O/c21-17-9-10-19(24-11-3-1-2-4-12-24)18(13-17)23-20(25)16-7-5-15(14-22)6-8-16/h5-10,13H,1-4,11-12H2,(H,23,25)