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

Systemtic Name: 2-[3-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[1-(4-bromobenzyl)pyrazol-3-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=CC(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1CN2C=CC(=N2)NC(=O)CCN3C(=CC=N3)C(=O)O)Br

InChI

InChI=1S/C17H16BrN5O3/c18-13-3-1-12(2-4-13)11-22-9-6-15(21-22)20-16(24)7-10-23-14(17(25)26)5-8-19-23/h1-6,8-9H,7,10-11H2,(H,25,26)(H,20,21,24)