ethyl 4-[1-(3-chloranyl-4-methyl-phenyl)-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(3-chloranyl-4-methyl-phenyl)-5-cyclopropyl-pyrazol-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-(3-chloro-4-methyl-phenyl)-5-cyclopropyl-pyrazole-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-(3-chloro-4-methylphenyl)-5-cyclopropyl-4-pyrazolyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(3-chloro-4-methyl-phenyl)-5-cyclopropyl-pyrazole-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)Cl)C4CC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=C(N(N=C2)C3=CC(=C(C=C3)C)Cl)C4CC4

InChI

InChI=1S/C21H25ClN4O3/c1-3-29-21(28)25-10-8-24(9-11-25)20(27)17-13-23-26(19(17)15-5-6-15)16-7-4-14(2)18(22)12-16/h4,7,12-13,15H,3,5-6,8-11H2,1-2H3