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

Systemtic Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]propanoic acid Openeye Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]propanoic acid CAS Name: 2-[[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]propanoic acid Traditional Name: 2-[[6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]propionic acid Formula: C21H18ClN5O3 MolecularWeight: 423.85232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5O3/c1-11(21(29)30)24-20(28)13-7-8-17-15(9-13)19(14-5-3-4-6-16(14)22)23-10-18-26-25-12(2)27(17)18/h3-9,11H,10H2,1-2H3,(H,24,28)(H,29,30)