1-(3-bromophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-[2-methyl-4-(4-methylpiperazino)phenyl]triazole-4-carboxamide Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN6O/c1-15-12-17(27-10-8-26(2)9-11-27)6-7-19(15)23-21(29)20-14-28(25-24-20)18-5-3-4-16(22)13-18/h3-7,12-14H,8-11H2,1-2H3,(H,23,29)