2-[3-[[1-[(4-bromophenyl)methyl]-5-methyl-pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[1-[(4-bromophenyl)methyl]-5-methyl-pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-[(4-bromophenyl)methyl]-5-methyl-pyrazol-3-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-[(4-bromophenyl)methyl]-5-methyl-3-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-[(4-bromophenyl)methyl]-5-methylpyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[1-(4-bromobenzyl)-5-methyl-pyrazol-3-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic 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)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

CC1=CC(=NN1CC2=CC=C(C=C2)Br)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

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