ethyl 1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(5-chloro-3-methyl-1-phenyl-pyrazole-4-carbonyl)nipecotic acid ethyl ester Formula: C19H22ClN3O3 MolecularWeight: 375.84928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H22ClN3O3/c1-3-26-19(25)14-8-7-11-22(12-14)18(24)16-13(2)21-23(17(16)20)15-9-5-4-6-10-15/h4-6,9-10,14H,3,7-8,11-12H2,1-2H3