4-heptyl-5-methyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)-1H-pyrazol-3-one

Systemtic Name: 4-heptyl-5-methyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)-1H-pyrazol-3-one Openeye Name: 4-heptyl-5-methyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)-1H-pyrazol-3-one CAS Name: 4-heptyl-5-methyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)-1H-pyrazol-3-one IUPAC Name: 4-heptyl-5-methyl-2-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)-1H-pyrazol-3-one Traditional Name: 4-heptyl-5-methyl-2-(5H-[1,2,4]triazin[5,6-b]indol-3-yl)-3-pyrazolin-3-one Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=CC=CC=C4N3)N=N2)C

Isomeric SMILES

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=CC=CC=C4N3)N=N2)C

InChI

InChI=1S/C20H24N6O/c1-3-4-5-6-7-10-14-13(2)25-26(19(14)27)20-22-18-17(23-24-20)15-11-8-9-12-16(15)21-18/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,21,22,24)