9-bromanyl-1-methylidene-2-propyl-7-pyridin-2-yl-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine

Systemtic Name: 9-bromanyl-1-methylidene-2-propyl-7-pyridin-2-yl-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Openeye Name: 9-bromo-1-methylene-2-propyl-7-(2-pyridyl)-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine CAS Name: 9-bromo-1-methylene-2-propyl-7-(2-pyridinyl)-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine IUPAC Name: 9-bromo-1-methylidene-2-propyl-7-pyridin-2-yl-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Traditional Name: 9-bromo-1-methylene-2-propyl-7-(2-pyridyl)-5H-[1,2,4]triazino[4,3-a][1,4]benzodiazepine Formula: C20H18BrN5 MolecularWeight: 408.29442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C2CN=C(C3=C(N2C1=C)C=CC(=C3)Br)C4=CC=CC=N4

Isomeric SMILES

CCCC1=NN=C2CN=C(C3=C(N2C1=C)C=CC(=C3)Br)C4=CC=CC=N4

InChI

InChI=1S/C20H18BrN5/c1-3-6-16-13(2)26-18-9-8-14(21)11-15(18)20(17-7-4-5-10-22-17)23-12-19(26)25-24-16/h4-5,7-11H,2-3,6,12H2,1H3