N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-[4-(2-methyl-1-oxopropyl)-1-piperazinyl]phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-(4-isobutyrylpiperazino)phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=NN3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=NC=NN3

InChI

InChI=1S/C17H22N6O2/c1-12(2)17(25)23-9-7-22(8-10-23)14-5-3-13(4-6-14)20-16(24)15-18-11-19-21-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,24)(H,18,19,21)