N-(3,4-dimethylphenyl)-1-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide

Systemtic Name: N-(3,4-dimethylphenyl)-1-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide Openeye Name: N-(3,4-dimethylphenyl)-1-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-1,2,4-triazole-3-carboxamide CAS Name: N-(3,4-dimethylphenyl)-1-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-1,2,4-triazole-3-carboxamide IUPAC Name: N-(3,4-dimethylphenyl)-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide Traditional Name: N-(3,4-dimethylphenyl)-1-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-1,2,4-triazole-3-carboxamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C

InChI

InChI=1S/C22H25N7O2/c1-16-6-7-18(13-17(16)2)25-22(31)21-24-15-29(26-21)14-20(30)28-11-9-27(10-12-28)19-5-3-4-8-23-19/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,31)