(4,5-dimethyl-1,2,4-triazol-3-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 1-(4-chlorophenyl)carbonylpiperidine-4-carboxylate Openeye Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-4-piperidinecarboxylic acid (4,5-dimethyl-1,2,4-triazol-3-yl)methyl ester IUPAC Name: (4,5-dimethyl-1,2,4-triazol-3-yl)methyl 1-(4-chlorobenzoyl)piperidine-4-carboxylate Traditional Name: 1-(4-chlorobenzoyl)isonipecotic acid (4,5-dimethyl-1,2,4-triazol-3-yl)methyl ester Formula: C18H21ClN4O3 MolecularWeight: 376.83734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=NN=C(N1C)COC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClN4O3/c1-12-20-21-16(22(12)2)11-26-18(25)14-7-9-23(10-8-14)17(24)13-3-5-15(19)6-4-13/h3-6,14H,7-11H2,1-2H3