ethyl 4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[5-chloro-3-methyl-1-(4-methylbenzyl)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=C(C=C3)C)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C2=C(N(N=C2C)CC3=CC=C(C=C3)C)Cl

InChI

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