N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-methyl-3-oxidanyl-propanamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-[3,4-bis(fluoranyl)phenyl]-2-methyl-3-oxidanyl-propanamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-3-hydroxy-2-methyl-propanamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-3-hydroxy-2-methylpropanamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-2-keto-1,3-dihydro-1,4-benzodiazepin-3-yl]-3-(3,4-difluorophenyl)-3-hydroxy-2-methyl-propionamide Formula: C26H21F2N3O5 MolecularWeight: 493.458846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)F)F)O)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)F)F)O)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21F2N3O5/c1-13(23(32)15-6-8-17(27)18(28)10-15)25(33)31-24-26(34)29-19-5-3-2-4-16(19)22(30-24)14-7-9-20-21(11-14)36-12-35-20/h2-11,13,23-24,32H,12H2,1H3,(H,29,34)(H,31,33)