2-[5-(2-bromophenyl)-1,2,3,4-tetrazol-2-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone

Systemtic Name: 2-[5-(2-bromophenyl)-1,2,3,4-tetrazol-2-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Openeye Name: 2-[5-(2-bromophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone CAS Name: 2-[5-(2-bromophenyl)-2-tetrazolyl]-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)ethanone IUPAC Name: 2-[5-(2-bromophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone Traditional Name: 2-[5-(2-bromophenyl)tetrazol-2-yl]-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)ethanone Formula: C21H18BrN5O MolecularWeight: 436.30452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3N=C(N=N3)C4=CC=CC=C4Br

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)CN3N=C(N=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C21H18BrN5O/c1-14-12-18(15(2)27(14)16-8-4-3-5-9-16)20(28)13-26-24-21(23-25-26)17-10-6-7-11-19(17)22/h3-12H,13H2,1-2H3