6-(4-chlorophenyl)-1-methyl-4-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine

Systemtic Name: 6-(4-chlorophenyl)-1-methyl-4-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Openeye Name: 6-(4-chlorophenyl)-1-methyl-4-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine CAS Name: 6-(4-chlorophenyl)-1-methyl-4-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine IUPAC Name: 6-(4-chlorophenyl)-1-methyl-4-[(4-nitrophenyl)methyl]-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Traditional Name: 6-(4-chlorophenyl)-1-methyl-4-(4-nitrobenzyl)-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Formula: C23H17ClN6O2 MolecularWeight: 444.87308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H17ClN6O2/c1-15-25-26-23-28(14-16-6-12-19(13-7-16)30(31)32)27-22(17-8-10-18(24)11-9-17)20-4-2-3-5-21(20)29(15)23/h2-13H,14H2,1H3