[4-(8-chloranyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] ethanoate

Systemtic Name: [4-(8-chloranyl-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] ethanoate Openeye Name: [4-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] acetate CAS Name: acetic acid [4-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] ester IUPAC Name: [4-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] acetate Traditional Name: acetic acid [4-(8-chloro-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-yl)phenyl] ester Formula: C19H15ClN4O2 MolecularWeight: 366.801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=C(C=C4)OC(=O)C

Isomeric SMILES

CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=C(C=C4)OC(=O)C

InChI

InChI=1S/C19H15ClN4O2/c1-11-22-23-18-10-21-19(13-3-6-15(7-4-13)26-12(2)25)16-9-14(20)5-8-17(16)24(11)18/h3-9H,10H2,1-2H3