8-chloranyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-1-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-1-(1-pyrimidin-2-yl-4-piperidyl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-1-[1-(2-pyrimidinyl)-4-piperidinyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-1-(1-pyrimidin-2-ylpiperidin-4-yl)-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-1-[1-(2-pyrimidyl)-4-piperidyl]-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C19H20ClN7 MolecularWeight: 381.862

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NN=C3N2C4=C(CNC3)C=C(C=C4)Cl)C5=NC=CC=N5

Isomeric SMILES

C1CN(CCC1C2=NN=C3N2C4=C(CNC3)C=C(C=C4)Cl)C5=NC=CC=N5

InChI

InChI=1S/C19H20ClN7/c20-15-2-3-16-14(10-15)11-21-12-17-24-25-18(27(16)17)13-4-8-26(9-5-13)19-22-6-1-7-23-19/h1-3,6-7,10,13,21H,4-5,8-9,11-12H2