2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]ethanoic acid

Systemtic Name: 2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]ethanoic acid Openeye Name: 2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]acetic acid CAS Name: 2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]acetic acid IUPAC Name: 2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]acetic acid Traditional Name: 2-[6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepin-4-yl]acetic acid Formula: C18H14ClN5O2 MolecularWeight: 367.78906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H14ClN5O2/c1-11-20-21-18-23(10-16(25)26)22-17(12-6-8-13(19)9-7-12)14-4-2-3-5-15(14)24(11)18/h2-9H,10H2,1H3,(H,25,26)