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

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl] 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(2-methylpropyl)-4-pyrazolecarboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate Traditional Name: 5-chloro-1-isobutyl-3-methyl-pyrazole-4-carboxylic acid [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl] ester Formula: C19H27ClN4O3 MolecularWeight: 394.89568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2(CCCCCC2)C#N)Cl)CC(C)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2(CCCCCC2)C#N)Cl)CC(C)C

InChI

InChI=1S/C19H27ClN4O3/c1-13(2)10-24-17(20)16(14(3)23-24)18(26)27-11-15(25)22-19(12-21)8-6-4-5-7-9-19/h13H,4-11H2,1-3H3,(H,22,25)