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

Systemtic Name: 2-[3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[4-[(3-bromophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[4-(3-bromobenzyl)piperazino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)Br)C(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C18H21BrN4O3/c19-15-3-1-2-14(12-15)13-21-8-10-22(11-9-21)17(24)5-7-23-16(18(25)26)4-6-20-23/h1-4,6,12H,5,7-11,13H2,(H,25,26)