(4R,7S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4R,7S)-4-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4R,7S)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carbonitrile Formula: C24H21BrN2O3 MolecularWeight: 465.33914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(C1C#N)C3=CC(=C(C(=C3)Br)O)OC)C(=O)CC(C2)C4=CC=CC=C4

Isomeric SMILES

CC1=NC2=C([C@H](C1C#N)C3=CC(=C(C(=C3)Br)O)OC)C(=O)C[C@H](C2)C4=CC=CC=C4

InChI

InChI=1S/C24H21BrN2O3/c1-13-17(12-26)22(16-8-18(25)24(29)21(11-16)30-2)23-19(27-13)9-15(10-20(23)28)14-6-4-3-5-7-14/h3-8,11,15,17,22,29H,9-10H2,1-2H3/t15-,17?,22-/m0/s1