4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]-5-oxidanyl-2H-isoquinolin-1-one

Systemtic Name: 4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]-5-oxidanyl-2H-isoquinolin-1-one Openeye Name: 5-hydroxy-4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]-2H-isoquinolin-1-one CAS Name: 5-hydroxy-4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]-2H-isoquinolin-1-one IUPAC Name: 5-hydroxy-4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]-2H-isoquinolin-1-one Traditional Name: 5-hydroxy-4-[4-[[methyl(3-phenylpropyl)amino]methyl]phenyl]isocarbostyril Formula: C26H26N2O2 MolecularWeight: 398.49684

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

Isomeric SMILES

CN(CCCC1=CC=CC=C1)CC2=CC=C(C=C2)C3=CNC(=O)C4=C3C(=CC=C4)O

InChI

InChI=1S/C26H26N2O2/c1-28(16-6-9-19-7-3-2-4-8-19)18-20-12-14-21(15-13-20)23-17-27-26(30)22-10-5-11-24(29)25(22)23/h2-5,7-8,10-15,17,29H,6,9,16,18H2,1H3,(H,27,30)