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

Systemtic Name: methyl 3-butyl-1-methyl-2-[4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylate Openeye Name: methyl 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylate CAS Name: 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3-butyl-1-methyl-2-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3H-pyrazole-5-carboxylate Traditional Name: 5-butyl-2-methyl-1-[4-phenyl-3-(2H-tetrazol-5-yl)phenyl]-3-pyrazoline-3-carboxylic acid methyl ester Formula: C23H26N6O2 MolecularWeight: 418.49154

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O2/c1-4-5-11-17-15-21(23(30)31-3)28(2)29(17)18-12-13-19(16-9-7-6-8-10-16)20(14-18)22-24-26-27-25-22/h6-10,12-15,17H,4-5,11H2,1-3H3,(H,24,25,26,27)