[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate

Systemtic Name: [(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Openeye Name: [(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(4-bromophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-bromophenyl)-1H-pyrazole-5-carboxylic acid [(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22BrN3O3 MolecularWeight: 420.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)OC(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H22BrN3O3/c1-12(18(24)21-15-5-3-2-4-6-15)26-19(25)17-11-16(22-23-17)13-7-9-14(20)10-8-13/h7-12,15H,2-6H2,1H3,(H,21,24)(H,22,23)/t12-/m0/s1