2-pentan-2-yl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate

Systemtic Name: 2-pentan-2-yl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2H-1,2,3,4-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate Openeye Name: 2-(1-methylbutyl)-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate CAS Name: 2-pentan-2-yl-1-[[4-(1-pyrrolyl)phenyl]methyl]-3-(2H-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate IUPAC Name: 2-pentan-2-yl-1-[(4-pyrrol-1-ylphenyl)methyl]-3-(2H-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate Traditional Name: 2-(1-methylbutyl)-1-(4-pyrrol-1-ylbenzyl)-3-(2H-tetrazol-5-yl)-2H-benzimidazole-4-carboxylate Formula: C25H26N7O2- MolecularWeight: 456.51964

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1N(C2=CC=CC(=C2N1C3=NNN=N3)C(=O)[O-])CC4=CC=C(C=C4)N5C=CC=C5

Isomeric SMILES

CCCC(C)C1N(C2=CC=CC(=C2N1C3=NNN=N3)C(=O)[O-])CC4=CC=C(C=C4)N5C=CC=C5

InChI

InChI=1S/C25H27N7O2/c1-3-7-17(2)23-31(16-18-10-12-19(13-11-18)30-14-4-5-15-30)21-9-6-8-20(24(33)34)22(21)32(23)25-26-28-29-27-25/h4-6,8-15,17,23H,3,7,16H2,1-2H3,(H,33,34)(H,26,27,28,29)/p-1