(4R,5S,6S,7R)-4,7-bis[(4-methoxyphenyl)methyl]-5,6-bis(oxidanyl)-1,3-bis[[3-(1H-pyrazol-5-yl)phenyl]methyl]-1,3-diazepan-2-one

Systemtic Name: (4R,5S,6S,7R)-4,7-bis[(4-methoxyphenyl)methyl]-5,6-bis(oxidanyl)-1,3-bis[[3-(1H-pyrazol-5-yl)phenyl]methyl]-1,3-diazepan-2-one Openeye Name: (4R,5S,6S,7R)-5,6-dihydroxy-4,7-bis[(4-methoxyphenyl)methyl]-1,3-bis[[3-(1H-pyrazol-5-yl)phenyl]methyl]-1,3-diazepan-2-one CAS Name: (4R,5S,6S,7R)-5,6-dihydroxy-4,7-bis[(4-methoxyphenyl)methyl]-1,3-bis[[3-(1H-pyrazol-5-yl)phenyl]methyl]-1,3-diazepan-2-one IUPAC Name: (4R,5S,6S,7R)-5,6-dihydroxy-4,7-bis[(4-methoxyphenyl)methyl]-1,3-bis[[3-(1H-pyrazol-5-yl)phenyl]methyl]-1,3-diazepan-2-one Traditional Name: (4R,5S,6S,7R)-5,6-dihydroxy-4,7-bis(p-anisyl)-1,3-bis[3-(1H-pyrazol-5-yl)benzyl]-1,3-diazepan-2-one Formula: C41H42N6O5 MolecularWeight: 698.80938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC=CC(=C3)C4=CC=NN4)CC5=CC=CC(=C5)C6=CC=NN6)CC7=CC=C(C=C7)OC)O)O

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=CC(=C3)C4=CC=NN4)CC5=CC=CC(=C5)C6=CC=NN6)CC7=CC=C(C=C7)OC)O)O

InChI

InChI=1S/C41H42N6O5/c1-51-33-13-9-27(10-14-33)23-37-39(48)40(49)38(24-28-11-15-34(52-2)16-12-28)47(26-30-6-4-8-32(22-30)36-18-20-43-45-36)41(50)46(37)25-29-5-3-7-31(21-29)35-17-19-42-44-35/h3-22,37-40,48-49H,23-26H2,1-2H3,(H,42,44)(H,43,45)/t37-,38-,39+,40+/m1/s1