[(4-cyanophenyl)amino] azepane-1-carboxylate

Systemtic Name: [(4-cyanophenyl)amino] azepane-1-carboxylate Openeye Name: (4-cyanoanilino) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid (4-cyanoanilino) ester IUPAC Name: (4-cyanoanilino) azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (4-cyanoanilino) ester Formula: C14H17N3O2 MolecularWeight: 259.30368

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)ONC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)ONC2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H17N3O2/c15-11-12-5-7-13(8-6-12)16-19-14(18)17-9-3-1-2-4-10-17/h5-8,16H,1-4,9-10H2