3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2H-1,2,4-triazin-5-one CAS Name: 3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]-2H-1,2,4-triazin-5-one Formula: C21H20N6O2 MolecularWeight: 388.4225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)C(=NN3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3=NC(=O)C(=NN3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c1-14-18(20(29)27(26(14)2)16-11-7-4-8-12-16)22-21-23-19(28)17(24-25-21)13-15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H2,22,23,25,28)