8-chloranyl-6-phenyl-2-(pyrrolidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine

Systemtic Name: 8-chloranyl-6-phenyl-2-(pyrrolidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Openeye Name: 8-chloro-6-phenyl-2-(pyrrolidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine CAS Name: 8-chloro-6-phenyl-2-(1-pyrrolidinylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine IUPAC Name: 8-chloro-6-phenyl-2-(pyrrolidin-1-ylmethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Traditional Name: 8-chloro-6-phenyl-2-(pyrrolidinomethyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine Formula: C21H20ClN5 MolecularWeight: 377.87

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)CC2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C21H20ClN5/c22-16-8-9-18-17(12-16)21(15-6-2-1-3-7-15)23-13-20-24-19(25-27(18)20)14-26-10-4-5-11-26/h1-3,6-9,12H,4-5,10-11,13-14H2