N-(4-chloranyl-3-cyano-phenyl)azepane-1-carboxamide

Systemtic Name: N-(4-chloranyl-3-cyano-phenyl)azepane-1-carboxamide Openeye Name: N-(4-chloro-3-cyano-phenyl)azepane-1-carboxamide CAS Name: N-(4-chloro-3-cyanophenyl)-1-azepanecarboxamide IUPAC Name: N-(4-chloro-3-cyanophenyl)azepane-1-carboxamide Traditional Name: N-(4-chloro-3-cyano-phenyl)azepane-1-carboxamide Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)NC2=CC(=C(C=C2)Cl)C#N

InChI

InChI=1S/C14H16ClN3O/c15-13-6-5-12(9-11(13)10-16)17-14(19)18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8H2,(H,17,19)