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

Systemtic Name: 4-[3-[(dipropylamino)methyl]-4-oxidanyl-phenyl]-5-oxidanyl-2H-isoquinolin-1-one Openeye Name: 4-[3-[(dipropylamino)methyl]-4-hydroxy-phenyl]-5-hydroxy-2H-isoquinolin-1-one CAS Name: 4-[3-[(dipropylamino)methyl]-4-hydroxyphenyl]-5-hydroxy-2H-isoquinolin-1-one IUPAC Name: 4-[3-[(dipropylamino)methyl]-4-hydroxyphenyl]-5-hydroxy-2H-isoquinolin-1-one Traditional Name: 4-[3-[(dipropylamino)methyl]-4-hydroxy-phenyl]-5-hydroxy-isocarbostyril Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)CC1=C(C=CC(=C1)C2=CNC(=O)C3=C2C(=CC=C3)O)O

Isomeric SMILES

CCCN(CCC)CC1=C(C=CC(=C1)C2=CNC(=O)C3=C2C(=CC=C3)O)O

InChI

InChI=1S/C22H26N2O3/c1-3-10-24(11-4-2)14-16-12-15(8-9-19(16)25)18-13-23-22(27)17-6-5-7-20(26)21(17)18/h5-9,12-13,25-26H,3-4,10-11,14H2,1-2H3,(H,23,27)