2-[[4-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid

Systemtic Name: 2-[[4-[4-bromanyl-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid Openeye Name: 2-[[4-[4-bromo-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl-propyl-amino]pyridine-3-carboxylic acid CAS Name: 2-[[4-[4-bromo-2-(2H-tetrazol-5-yl)-1-pyrrolyl]phenyl]methyl-propylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-[[4-[4-bromo-2-(2H-tetrazol-5-yl)pyrrol-1-yl]phenyl]methyl-propylamino]pyridine-3-carboxylic acid Traditional Name: 2-[[4-[4-bromo-2-(2H-tetrazol-5-yl)pyrrol-1-yl]benzyl]-propyl-amino]nicotinic acid Formula: C21H20BrN7O2 MolecularWeight: 482.3332

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)N2C=C(C=C2C3=NNN=N3)Br)C4=C(C=CC=N4)C(=O)O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)N2C=C(C=C2C3=NNN=N3)Br)C4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C21H20BrN7O2/c1-2-10-28(20-17(21(30)31)4-3-9-23-20)12-14-5-7-16(8-6-14)29-13-15(22)11-18(29)19-24-26-27-25-19/h3-9,11,13H,2,10,12H2,1H3,(H,30,31)(H,24,25,26,27)