(4R,5S,6S,7R)-4,7-bis[(4-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)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-hydroxyphenyl)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(4-hydroxybenzyl)-1,3-bis[3-(1H-pyrazol-5-yl)benzyl]-1,3-diazepan-2-one Formula: C39H38N6O5 MolecularWeight: 670.75622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CN2C(C(C(C(N(C2=O)CC3=CC=CC(=C3)C4=CC=NN4)CC5=CC=C(C=C5)O)O)O)CC6=CC=C(C=C6)O)C7=CC=NN7

Isomeric SMILES

C1=CC(=CC(=C1)CN2[C@@H]([C@@H]([C@H]([C@H](N(C2=O)CC3=CC=CC(=C3)C4=CC=NN4)CC5=CC=C(C=C5)O)O)O)CC6=CC=C(C=C6)O)C7=CC=NN7

InChI

InChI=1S/C39H38N6O5/c46-31-11-7-25(8-12-31)21-35-37(48)38(49)36(22-26-9-13-32(47)14-10-26)45(24-28-4-2-6-30(20-28)34-16-18-41-43-34)39(50)44(35)23-27-3-1-5-29(19-27)33-15-17-40-42-33/h1-20,35-38,46-49H,21-24H2,(H,40,42)(H,41,43)/t35-,36-,37+,38+/m1/s1