(3R)-3-[2-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one

Systemtic Name: (3R)-3-[2-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-2,3-dihydroisoindol-1-one Openeye Name: (3R)-3-[2-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]isoindolin-1-one CAS Name: (3R)-3-[2-[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one IUPAC Name: (3R)-3-[2-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-2,3-dihydroisoindol-1-one Traditional Name: (3R)-3-[2-keto-2-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]isoindolin-1-one Formula: C29H25N3O4 MolecularWeight: 479.5265

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CC3C4=CC=CC=C4C(=O)N3)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)C[C@@H]3C4=CC=CC=C4C(=O)N3)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C29H25N3O4/c1-35-26-14-19(20-12-18-6-2-5-9-24(18)30-16-20)13-21-17-32(10-11-36-28(21)26)27(33)15-25-22-7-3-4-8-23(22)29(34)31-25/h2-9,12-14,16,25H,10-11,15,17H2,1H3,(H,31,34)/t25-/m1/s1