2,4-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]-6-oxidanyl-1,5-bis(phenylmethyl)-1,2,4-triazepan-3-one

Systemtic Name: 2,4-bis[(3-methoxy-4-oxidanyl-phenyl)methyl]-6-oxidanyl-1,5-bis(phenylmethyl)-1,2,4-triazepan-3-one Openeye Name: 1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxy-phenyl)methyl]-1,2,4-triazepan-3-one CAS Name: 6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,5-bis(phenylmethyl)-1,2,4-triazepan-3-one IUPAC Name: 1,5-dibenzyl-6-hydroxy-2,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]-1,2,4-triazepan-3-one Traditional Name: 1,5-dibenzyl-6-hydroxy-2,4-divanillyl-1,2,4-triazepan-3-one Formula: C34H37N3O6 MolecularWeight: 583.67408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2C(C(CN(N(C2=O)CC3=CC(=C(C=C3)O)OC)CC4=CC=CC=C4)O)CC5=CC=CC=C5)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C(C(CN(N(C2=O)CC3=CC(=C(C=C3)O)OC)CC4=CC=CC=C4)O)CC5=CC=CC=C5)O

InChI

InChI=1S/C34H37N3O6/c1-42-32-18-26(13-15-29(32)38)21-36-28(17-24-9-5-3-6-10-24)31(40)23-35(20-25-11-7-4-8-12-25)37(34(36)41)22-27-14-16-30(39)33(19-27)43-2/h3-16,18-19,28,31,38-40H,17,20-23H2,1-2H3