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

Systemtic Name: 6-chloranyl-2-[[4-(1-oxidanylpropyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one Openeye Name: 6-chloro-2-[[4-(1-hydroxypropyl)phenyl]methyl]-4-phenyl-3-propanoyl-isoquinolin-1-one CAS Name: 6-chloro-2-[[4-(1-hydroxypropyl)phenyl]methyl]-3-(1-oxopropyl)-4-phenyl-1-isoquinolinone IUPAC Name: 6-chloro-2-[[4-(1-hydroxypropyl)phenyl]methyl]-4-phenyl-3-propanoylisoquinolin-1-one Traditional Name: 6-chloro-2-[4-(1-hydroxypropyl)benzyl]-4-phenyl-3-propionyl-isocarbostyril Formula: C28H26ClNO3 MolecularWeight: 459.96394

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)CC)O

Isomeric SMILES

CCC(C1=CC=C(C=C1)CN2C(=C(C3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4)C(=O)CC)O

InChI

InChI=1S/C28H26ClNO3/c1-3-24(31)19-12-10-18(11-13-19)17-30-27(25(32)4-2)26(20-8-6-5-7-9-20)23-16-21(29)14-15-22(23)28(30)33/h5-16,24,31H,3-4,17H2,1-2H3