4-[[3,5-bis(oxidanyl)phenyl]methyl]-N-[[2-fluoranyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: 4-[[3,5-bis(oxidanyl)phenyl]methyl]-N-[[2-fluoranyl-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)carbonyl]phenyl]methyl]piperazine-1-carboxamide Openeye Name: 4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-fluoro-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: 4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-fluoro-4-[(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepin-5-yl)-oxomethyl]phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: 4-[(3,5-dihydroxyphenyl)methyl]-N-[[2-fluoro-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: 4-(3,5-dihydroxybenzyl)-N-[2-fluoro-4-(1-methyl-2,4-dihydropyrazolo[4,3-c][1,5]benzodiazepine-5-carbonyl)benzyl]piperazine-1-carboxamide Formula: C31H32FN7O4 MolecularWeight: 585.628683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC3=CC=CC=C3N(CC2=CN1)C(=O)C4=CC(=C(C=C4)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O)F

Isomeric SMILES

CN1C2=NC3=CC=CC=C3N(CC2=CN1)C(=O)C4=CC(=C(C=C4)CNC(=O)N5CCN(CC5)CC6=CC(=CC(=C6)O)O)F

InChI

InChI=1S/C31H32FN7O4/c1-36-29-23(17-34-36)19-39(28-5-3-2-4-27(28)35-29)30(42)21-6-7-22(26(32)14-21)16-33-31(43)38-10-8-37(9-11-38)18-20-12-24(40)15-25(41)13-20/h2-7,12-15,17,34,40-41H,8-11,16,18-19H2,1H3,(H,33,43)