4-methyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 4-methyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 4-methyl-1-piperazin-1-yl-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 4-methyl-1-(1-piperazinyl)-6-(2-pyridinyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 4-methyl-1-piperazin-1-yl-6-pyridin-2-yl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 4-methyl-1-piperazino-6-(2-pyridyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C20H21N7 MolecularWeight: 359.42764

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=N4)N5CCNCC5

Isomeric SMILES

CC1C2=NN=C(N2C3=CC=CC=C3C(=N1)C4=CC=CC=N4)N5CCNCC5

InChI

InChI=1S/C20H21N7/c1-14-19-24-25-20(26-12-10-21-11-13-26)27(19)17-8-3-2-6-15(17)18(23-14)16-7-4-5-9-22-16/h2-9,14,21H,10-13H2,1H3