N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]pyrrolidine-1-carboxamide

Systemtic Name: N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]pyrrolidine-1-carboxamide Openeye Name: N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]pyrrolidine-1-carboxamide CAS Name: N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-1-pyrrolidinecarboxamide IUPAC Name: N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]pyrrolidine-1-carboxamide Traditional Name: N-[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]pyrrolidine-1-carboxamide Formula: C22H21ClN6O MolecularWeight: 420.89474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)NC(=O)N4CCCC4)C(=NC2)C5=CC=CC=C5Cl

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)NC(=O)N4CCCC4)C(=NC2)C5=CC=CC=C5Cl

InChI

InChI=1S/C22H21ClN6O/c1-14-26-27-20-13-24-21(16-6-2-3-7-18(16)23)17-12-15(8-9-19(17)29(14)20)25-22(30)28-10-4-5-11-28/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,25,30)