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

Systemtic Name: 2-[3-[[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[4-bromo-1-(4-methylbenzyl)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=C(C=C1)CN2C=C(C(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

InChI

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