6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Systemtic Name: 6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Openeye Name: 6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine CAS Name: 6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine IUPAC Name: 6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Traditional Name: 6-(2-chlorophenyl)-8-isocyanato-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine Formula: C18H12ClN5O MolecularWeight: 349.77378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN5O/c1-11-22-23-17-9-20-18(13-4-2-3-5-15(13)19)14-8-12(21-10-25)6-7-16(14)24(11)17/h2-8H,9H2,1H3