N-(4-bromanyl-3-methyl-phenyl)-4-[1-(3-ethylphenyl)-1,2,3,4-tetrazol-5-yl]piperazine-1-carboxamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-[1-(3-ethylphenyl)-1,2,3,4-tetrazol-5-yl]piperazine-1-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazine-1-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[1-(3-ethylphenyl)-5-tetrazolyl]-1-piperazinecarboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazine-1-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-[1-(3-ethylphenyl)tetrazol-5-yl]piperazine-1-carboxamide Formula: C21H24BrN7O MolecularWeight: 470.36556

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)N2C(=NN=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

Isomeric SMILES

CCC1=CC(=CC=C1)N2C(=NN=N2)N3CCN(CC3)C(=O)NC4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C21H24BrN7O/c1-3-16-5-4-6-18(14-16)29-20(24-25-26-29)27-9-11-28(12-10-27)21(30)23-17-7-8-19(22)15(2)13-17/h4-8,13-14H,3,9-12H2,1-2H3,(H,23,30)