2-(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one

Systemtic Name: 2-(8-bromanyl-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one Openeye Name: 2-(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one CAS Name: 2-(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one IUPAC Name: 2-(8-bromo-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)-4-heptyl-5-methyl-1H-pyrazol-3-one Traditional Name: 2-(8-bromo-5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)-4-heptyl-5-methyl-3-pyrazolin-3-one Formula: C21H25BrN6O MolecularWeight: 457.3668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=C(N3C)C=CC(=C4)Br)N=N2)C

Isomeric SMILES

CCCCCCCC1=C(NN(C1=O)C2=NC3=C(C4=C(N3C)C=CC(=C4)Br)N=N2)C

InChI

InChI=1S/C21H25BrN6O/c1-4-5-6-7-8-9-15-13(2)26-28(20(15)29)21-23-19-18(24-25-21)16-12-14(22)10-11-17(16)27(19)3/h10-12,26H,4-9H2,1-3H3