[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H21BrN4O3 MolecularWeight: 445.30974

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC(=NN1)C2=CC=C(C=C2)Br)C3(CCCCC3)C#N

InChI

InChI=1S/C20H21BrN4O3/c1-25(20(13-22)9-3-2-4-10-20)18(26)12-28-19(27)17-11-16(23-24-17)14-5-7-15(21)8-6-14/h5-8,11H,2-4,9-10,12H2,1H3,(H,23,24)