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

Systemtic Name: 2-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(5-ethyl-[1,2,4]triazin[5,6-b]indol-3-yl)-4-heptyl-5-methyl-3-pyrazolin-3-one Formula: C22H28N6O MolecularWeight: 392.49732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=CC=CC=C4N3CC)N=N2)C

Isomeric SMILES

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=CC=CC=C4N3CC)N=N2)C

InChI

InChI=1S/C22H28N6O/c1-4-6-7-8-9-12-16-15(3)26-28(21(16)29)22-23-20-19(24-25-22)17-13-10-11-14-18(17)27(20)5-2/h10-11,13-14,26H,4-9,12H2,1-3H3