4-[2-(4-bromophenyl)-5-(2H-1,2,3,4-tetrazol-5-ylmethyl)pyrrol-1-yl]-3-methyl-benzamide

Systemtic Name: 4-[2-(4-bromophenyl)-5-(2H-1,2,3,4-tetrazol-5-ylmethyl)pyrrol-1-yl]-3-methyl-benzamide Openeye Name: 4-[2-(4-bromophenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]-3-methyl-benzamide CAS Name: 4-[2-(4-bromophenyl)-5-(2H-tetrazol-5-ylmethyl)-1-pyrrolyl]-3-methylbenzamide IUPAC Name: 4-[2-(4-bromophenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]-3-methylbenzamide Traditional Name: 4-[2-(4-bromophenyl)-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]-3-methyl-benzamide Formula: C20H17BrN6O MolecularWeight: 437.29258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)Br)CC4=NNN=N4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N)N2C(=CC=C2C3=CC=C(C=C3)Br)CC4=NNN=N4

InChI

InChI=1S/C20H17BrN6O/c1-12-10-14(20(22)28)4-8-17(12)27-16(11-19-23-25-26-24-19)7-9-18(27)13-2-5-15(21)6-3-13/h2-10H,11H2,1H3,(H2,22,28)(H,23,24,25,26)