8-chloranyl-1-(oxolan-2-yloxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-1-(oxolan-2-yloxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 8-chloro-6-phenyl-1-(tetrahydrofuran-2-yloxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 8-chloro-1-(2-oxolanyloxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 8-chloro-1-(oxolan-2-yloxymethyl)-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 8-chloro-6-phenyl-1-(tetrahydrofuryloxymethyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C21H19ClN4O2 MolecularWeight: 394.85416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)OCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)OCC2=NN=C3N2C4=C(C=C(C=C4)Cl)C(=NC3)C5=CC=CC=C5

InChI

InChI=1S/C21H19ClN4O2/c22-15-8-9-17-16(11-15)21(14-5-2-1-3-6-14)23-12-18-24-25-19(26(17)18)13-28-20-7-4-10-27-20/h1-3,5-6,8-9,11,20H,4,7,10,12-13H2