N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2-[4-(1-phenyl-1,2,3,4-tetrazol-5-yl)piperazin-1-yl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-phenyl-5-tetrazolyl)-1-piperazinyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazino]propionamide Formula: C21H24BrN7O MolecularWeight: 470.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C(C)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C(C)N2CCN(CC2)C3=NN=NN3C4=CC=CC=C4)Br

InChI

InChI=1S/C21H24BrN7O/c1-15-14-17(8-9-19(15)22)23-20(30)16(2)27-10-12-28(13-11-27)21-24-25-26-29(21)18-6-4-3-5-7-18/h3-9,14,16H,10-13H2,1-2H3,(H,23,30)