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

Systemtic Name: (4S)-1-[2-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxidanylidene-ethyl]-4-phenyl-pyrrolidin-2-one Openeye Name: (4S)-1-[2-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxo-ethyl]-4-phenyl-pyrrolidin-2-one CAS Name: (4S)-1-[2-[9-methoxy-7-(3-quinolinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-2-oxoethyl]-4-phenyl-2-pyrrolidinone IUPAC Name: (4S)-1-[2-(9-methoxy-7-quinolin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2-oxoethyl]-4-phenylpyrrolidin-2-one Traditional Name: (4S)-1-[2-keto-2-[9-methoxy-7-(3-quinolyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-4-phenyl-2-pyrrolidone Formula: C31H29N3O4 MolecularWeight: 507.57966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3CC(CC3=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6N=C5

Isomeric SMILES

COC1=CC(=CC2=C1OCCN(C2)C(=O)CN3C[C@@H](CC3=O)C4=CC=CC=C4)C5=CC6=CC=CC=C6N=C5

InChI

InChI=1S/C31H29N3O4/c1-37-28-15-23(24-13-22-9-5-6-10-27(22)32-17-24)14-26-19-33(11-12-38-31(26)28)30(36)20-34-18-25(16-29(34)35)21-7-3-2-4-8-21/h2-10,13-15,17,25H,11-12,16,18-20H2,1H3/t25-/m1/s1