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-methyl-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-methyl-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)-3-hydroxy-2-methyl-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)-3-hydroxy-2-methylpropanamide 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)-3-hydroxy-2-methylpropanamide 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)-3-hydroxy-2-methyl-propionamide Formula: C28H24F2N4O6 MolecularWeight: 550.510166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)F)F)O)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5)CC(=O)N

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)F)F)O)C(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5)CC(=O)N

InChI

InChI=1S/C28H24F2N4O6/c1-14(25(36)16-6-8-18(29)19(30)10-16)27(37)33-26-28(38)34(12-23(31)35)20-5-3-2-4-17(20)24(32-26)15-7-9-21-22(11-15)40-13-39-21/h2-11,14,25-26,36H,12-13H2,1H3,(H2,31,35)(H,33,37)