[8-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [8-chloranyl-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-pyrrolidin-1-yl-methanone Openeye Name: [8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-pyrrolidin-1-yl-methanone CAS Name: [8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-pyrrolidin-1-ylmethanone Traditional Name: [8-chloro-6-(2-fluorophenyl)-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepin-2-yl]-pyrrolidino-methanone Formula: C21H17ClFN5O MolecularWeight: 409.843983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5F

Isomeric SMILES

C1CCN(C1)C(=O)C2=NN3C(=N2)CN=C(C4=C3C=CC(=C4)Cl)C5=CC=CC=C5F

InChI

InChI=1S/C21H17ClFN5O/c22-13-7-8-17-15(11-13)19(14-5-1-2-6-16(14)23)24-12-18-25-20(26-28(17)18)21(29)27-9-3-4-10-27/h1-2,5-8,11H,3-4,9-10,12H2