2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]butanedioic acid CAS Name: 2-[[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]butanedioic acid Traditional Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]succinic acid Formula: C22H18ClN5O5 MolecularWeight: 467.86182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)C(=NC2)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)C(=NC2)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H18ClN5O5/c1-11-26-27-18-10-24-20(13-4-2-3-5-15(13)23)14-8-12(6-7-17(14)28(11)18)21(31)25-16(22(32)33)9-19(29)30/h2-8,16H,9-10H2,1H3,(H,25,31)(H,29,30)(H,32,33)