(4S,4aR)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-3-morpholin-4-ylcarbonyl-4a,6,7,8-tetrahydro-4H-quinolin-5-one

Systemtic Name: (4S,4aR)-4-(3-bromanyl-4-methoxy-phenyl)-2-methyl-3-morpholin-4-ylcarbonyl-4a,6,7,8-tetrahydro-4H-quinolin-5-one Openeye Name: (4S,4aR)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-3-(morpholine-4-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one CAS Name: (4S,4aR)-4-(3-bromo-4-methoxyphenyl)-2-methyl-3-[4-morpholinyl(oxo)methyl]-4a,6,7,8-tetrahydro-4H-quinolin-5-one IUPAC Name: (4S,4aR)-4-(3-bromo-4-methoxyphenyl)-2-methyl-3-(morpholine-4-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one Traditional Name: (4S,4aR)-4-(3-bromo-4-methoxy-phenyl)-2-methyl-3-(morpholine-4-carbonyl)-4a,6,7,8-tetrahydro-4H-quinolin-5-one Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)N4CCOCC4

Isomeric SMILES

CC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC(=C(C=C3)OC)Br)C(=O)N4CCOCC4

InChI

InChI=1S/C22H25BrN2O4/c1-13-19(22(27)25-8-10-29-11-9-25)20(14-6-7-18(28-2)15(23)12-14)21-16(24-13)4-3-5-17(21)26/h6-7,12,20-21H,3-5,8-11H2,1-2H3/t20-,21+/m0/s1