(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H20ClN3O4/c1-12(22)16(10-21)17(24)11-27-19(26)14-6-8-23(9-7-14)18(25)13-2-4-15(20)5-3-13/h2-5,14,16,22H,6-9,11H2,1H3