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

Systemtic Name: 4-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Openeye Name: 6-(4-chlorophenyl)-4-[(3,4-dibenzyloxyphenyl)methyl]-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine CAS Name: 4-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine IUPAC Name: 4-[[3,4-bis(phenylmethoxy)phenyl]methyl]-6-(4-chlorophenyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Traditional Name: 6-(4-chlorophenyl)-4-(3,4-dibenzoxybenzyl)-1-methyl-[1,2,4]triazolo[4,3-a][1,3,4]benzotriazepine Formula: C37H30ClN5O2 MolecularWeight: 612.1194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C7=CC=C(C=C7)Cl

Isomeric SMILES

CC1=NN=C2N1C3=CC=CC=C3C(=NN2CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C7=CC=C(C=C7)Cl

InChI

InChI=1S/C37H30ClN5O2/c1-26-39-40-37-42(41-36(30-17-19-31(38)20-18-30)32-14-8-9-15-33(32)43(26)37)23-29-16-21-34(44-24-27-10-4-2-5-11-27)35(22-29)45-25-28-12-6-3-7-13-28/h2-22H,23-25H2,1H3