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

Systemtic Name: 4-(1-azanylethyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isoquinolin-1-one Openeye Name: 4-(1-aminoethyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isoquinolin-1-one CAS Name: 4-(1-aminoethyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-1-isoquinolinone IUPAC Name: 4-(1-aminoethyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenylisoquinolin-1-one Traditional Name: 4-(1-aminoethyl)-5-[2-(4-hydroxyphenyl)ethyl]-2-methyl-3-phenyl-isocarbostyril Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O2/c1-17(27)23-24-19(14-11-18-12-15-21(29)16-13-18)9-6-10-22(24)26(30)28(2)25(23)20-7-4-3-5-8-20/h3-10,12-13,15-17,29H,11,14,27H2,1-2H3