6-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[1-(4-bromobenzyl)pyrazol-3-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C18H18BrN3O3/c19-13-7-5-12(6-8-13)11-22-10-9-16(21-22)20-17(23)14-3-1-2-4-15(14)18(24)25/h1-2,5-10,14-15H,3-4,11H2,(H,24,25)(H,20,21,23)