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

Systemtic Name: 2-[3-[[4-bromanyl-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[[4-bromo-1-[(4-bromophenyl)methyl]-3-pyrazolyl]amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[4-bromo-1-[(4-bromophenyl)methyl]pyrazol-3-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[[4-bromo-1-(4-bromobenzyl)pyrazol-3-yl]amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H15Br2N5O3 MolecularWeight: 497.1407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15Br2N5O3/c18-12-3-1-11(2-4-12)9-23-10-13(19)16(22-23)21-15(25)6-8-24-14(17(26)27)5-7-20-24/h1-5,7,10H,6,8-9H2,(H,26,27)(H,21,22,25)