3-butyl-1-methyl-2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid

Systemtic Name: 3-butyl-1-methyl-2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid Openeye Name: 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid CAS Name: 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid IUPAC Name: 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid Traditional Name: 5-butyl-2-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyrazoline-3-carboxylic acid Formula: C22H24N6O2 MolecularWeight: 404.46496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(N(N1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C)C(=O)O

Isomeric SMILES

CCCCC1C=C(N(N1C2=CC(=C(C=C2)C3=CC=CC=C3)C4=NNN=N4)C)C(=O)O

InChI

InChI=1S/C22H24N6O2/c1-3-4-10-16-14-20(22(29)30)27(2)28(16)17-11-12-18(15-8-6-5-7-9-15)19(13-17)21-23-25-26-24-21/h5-9,11-14,16H,3-4,10H2,1-2H3,(H,29,30)(H,23,24,25,26)