[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=C(C=C2)N3CCCC3)Cl)CC(C)C

InChI

InChI=1S/C21H27ClN4O3/c1-14(2)12-26-20(22)19(15(3)24-26)21(28)29-13-18(27)23-16-6-8-17(9-7-16)25-10-4-5-11-25/h6-9,14H,4-5,10-13H2,1-3H3,(H,23,27)