6-bromanyl-2-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[[4-(2-oxidanylpropan-2-yl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-2-[[4-(1-hydroxy-1-methyl-ethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-bromo-2-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[[4-(2-hydroxypropan-2-yl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-2-[4-(1-hydroxy-1-methyl-ethyl)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C28H26BrNO3 MolecularWeight: 504.41494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(C)(C)O)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)C(C)(C)O)C4=CC=CC=C4

InChI

InChI=1S/C28H26BrNO3/c1-4-24(31)26-25(19-8-6-5-7-9-19)23-16-21(29)14-15-22(23)27(32)30(26)17-18-10-12-20(13-11-18)28(2,3)33/h5-16,33H,4,17H2,1-3H3