6-chloranyl-2-[[4-(1-hydroxyethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one

Systemtic Name: 6-chloranyl-2-[[4-(1-hydroxyethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-chloro-2-[[4-(1-hydroxyethyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-chloro-2-[[4-(1-hydroxyethyl)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-2-[[4-(1-hydroxyethyl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-chloro-2-[4-(1-hydroxyethyl)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C27H24ClNO3 MolecularWeight: 445.93736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClNO3/c1-3-24(31)26-25(20-7-5-4-6-8-20)23-15-21(28)13-14-22(23)27(32)29(26)16-18-9-11-19(12-10-18)17(2)30/h4-15,17,30H,3,16H2,1-2H3