ethyl 4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carbonyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H27ClN4O3/c1-4-29-21(28)25-11-9-17(10-12-25)23-20(27)19-14(2)24-26(15(19)3)13-16-7-5-6-8-18(16)22/h5-8,17H,4,9-13H2,1-3H3,(H,23,27)