6-bromanyl-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-bromanyl-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-bromo-4-phenyl-3-propanoyl-2-[[4-(3-tetrahydropyran-2-yloxypropylsulfanyl)phenyl]methyl]isoquinolin-1-one CAS Name: 6-bromo-2-[[4-[3-(2-oxanyloxy)propylthio]phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-bromo-2-[[4-[3-(oxan-2-yloxy)propylsulfanyl]phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-bromo-4-phenyl-3-propionyl-2-[4-(3-tetrahydropyran-2-yloxypropylthio)benzyl]isocarbostyril Formula: C33H34BrNO4S MolecularWeight: 620.59636

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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)SCCCOC4CCCCO4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(C=CC(=C2)Br)C(=O)N1CC3=CC=C(C=C3)SCCCOC4CCCCO4)C5=CC=CC=C5

InChI

InChI=1S/C33H34BrNO4S/c1-2-29(36)32-31(24-9-4-3-5-10-24)28-21-25(34)14-17-27(28)33(37)35(32)22-23-12-15-26(16-13-23)40-20-8-19-39-30-11-6-7-18-38-30/h3-5,9-10,12-17,21,30H,2,6-8,11,18-20,22H2,1H3