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

Systemtic Name: 1-[1-[[4-bromanyl-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[[4-bromo-1-(p-tolylmethyl)pyrazol-3-yl]amino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[[4-bromo-1-[(4-methylphenyl)methyl]-3-pyrazolyl]amino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]amino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[[4-bromo-1-(4-methylbenzyl)pyrazol-3-yl]amino]-2-keto-1-methyl-ethyl]pyrazole-4-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)C(C)N3C=C(C=N3)C(=O)O)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)C(C)N3C=C(C=N3)C(=O)O)Br

InChI

InChI=1S/C18H18BrN5O3/c1-11-3-5-13(6-4-11)8-23-10-15(19)16(22-23)21-17(25)12(2)24-9-14(7-20-24)18(26)27/h3-7,9-10,12H,8H2,1-2H3,(H,26,27)(H,21,22,25)