N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)-3-oxidanyl-propanamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)-5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-(4-fluorophenyl)-3-oxidanyl-propanamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxy-propanamide CAS Name: N-[1-(2-amino-2-oxoethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxypropanamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)-5-(1,3-benzodioxol-5-yl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxypropanamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)-5-(1,3-benzodioxol-5-yl)-2-keto-3H-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxy-propionamide Formula: C33H25F3N4O6 MolecularWeight: 630.57001

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)N(C4=CC=CC=C43)CC(=O)N)NC(=O)C(C5=CC=C(C=C5)F)C(C6=CC(=C(C=C6)F)F)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC(C(=O)N(C4=CC=CC=C43)CC(=O)N)NC(=O)C(C5=CC=C(C=C5)F)C(C6=CC(=C(C=C6)F)F)O

InChI

InChI=1S/C33H25F3N4O6/c34-20-9-5-17(6-10-20)28(30(42)19-7-11-22(35)23(36)13-19)32(43)39-31-33(44)40(15-27(37)41)24-4-2-1-3-21(24)29(38-31)18-8-12-25-26(14-18)46-16-45-25/h1-14,28,30-31,42H,15-16H2,(H2,37,41)(H,39,43)