[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 5-chloranyl-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(2-chlorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(2-chlorobenzyl)-3-methyl-pyrazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C21H25Cl2N3O3 MolecularWeight: 438.3475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCCCCC2)Cl)CC3=CC=CC=C3Cl

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C(=O)N2CCCCCC2)Cl)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H25Cl2N3O3/c1-14-18(19(23)26(24-14)13-16-9-5-6-10-17(16)22)21(28)29-15(2)20(27)25-11-7-3-4-8-12-25/h5-6,9-10,15H,3-4,7-8,11-13H2,1-2H3