N-[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: N-[5-(6-methyl-2-pyridyl)-1H-1,2,4-triazol-3-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide CAS Name: N-[5-(6-methyl-2-pyridinyl)-1H-1,2,4-triazol-3-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[5-(6-methylpyridin-2-yl)-1H-1,2,4-triazol-3-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-N-[5-(6-methyl-2-pyridyl)-1H-1,2,4-triazol-3-yl]-4-(3-phenyl-2-pyrazolin-1-yl)butyramide Formula: C21H21N7O2 MolecularWeight: 403.43714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C2=NC(=NN2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=N1)C2=NC(=NN2)NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7O2/c1-14-6-5-9-17(22-14)20-24-21(26-25-20)23-18(29)10-11-19(30)28-13-12-16(27-28)15-7-3-2-4-8-15/h2-9H,10-13H2,1H3,(H2,23,24,25,26,29)