4-(1-azanylpropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isoquinolin-1-one

Systemtic Name: 4-(1-azanylpropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isoquinolin-1-one Openeye Name: 4-(1-aminopropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isoquinolin-1-one CAS Name: 4-(1-aminopropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-1-isoquinolinone IUPAC Name: 4-(1-aminopropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenylisoquinolin-1-one Traditional Name: 4-(1-aminopropyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isocarbostyril Formula: C27H28N2O2 MolecularWeight: 412.52342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(N(C(=O)C2=C1C(=CC=C2)CCC3=CC=C(C=C3)O)C)C4=CC=CC=C4)N

Isomeric SMILES

CCC(C1=C(N(C(=O)C2=C1C(=CC=C2)CCC3=CC=C(C=C3)O)C)C4=CC=CC=C4)N

InChI

InChI=1S/C27H28N2O2/c1-3-23(28)25-24-19(15-12-18-13-16-21(30)17-14-18)10-7-11-22(24)27(31)29(2)26(25)20-8-5-4-6-9-20/h4-11,13-14,16-17,23,30H,3,12,15,28H2,1-2H3