tert-butyl 4-[5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H26Cl2N4O3 MolecularWeight: 453.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)C(=O)OC(C)(C)C)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H26Cl2N4O3/c1-14-17(18(23)27(24-14)13-15-7-5-6-8-16(15)22)19(28)25-9-11-26(12-10-25)20(29)30-21(2,3)4/h5-8H,9-13H2,1-4H3