3-[5-[[4-bromanyl-1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[5-[[4-bromanyl-1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[4-bromo-1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[4-bromo-1-(4-bromobenzyl)pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C17H15Br2N5O3 MolecularWeight: 497.1407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C(=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C(=N2)NC(=O)C3=CC=NN3CCC(=O)O)Br)Br

InChI

InChI=1S/C17H15Br2N5O3/c18-12-3-1-11(2-4-12)9-23-10-13(19)16(22-23)21-17(27)14-5-7-20-24(14)8-6-15(25)26/h1-5,7,10H,6,8-9H2,(H,25,26)(H,21,22,27)