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

Systemtic Name: 3-[5-[[1-[(4-bromophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Openeye Name: 3-[5-[[1-[(4-bromophenyl)methyl]-5-methyl-pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid CAS Name: 3-[5-[[[1-[(4-bromophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-oxomethyl]-1-pyrazolyl]propanoic acid IUPAC Name: 3-[5-[[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid Traditional Name: 3-[5-[[1-(4-bromobenzyl)-5-methyl-pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propionic acid Formula: C18H18BrN5O3 MolecularWeight: 432.27122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC=C(C=C2)Br)NC(=O)C3=CC=NN3CCC(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Br)NC(=O)C3=CC=NN3CCC(=O)O

InChI

InChI=1S/C18H18BrN5O3/c1-12-10-16(22-24(12)11-13-2-4-14(19)5-3-13)21-18(27)15-6-8-20-23(15)9-7-17(25)26/h2-6,8,10H,7,9,11H2,1H3,(H,25,26)(H,21,22,27)