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

Systemtic Name: 4-[3-[(dipropylamino)methyl]-4-methoxy-phenyl]-5-oxidanyl-2H-isoquinolin-1-one Openeye Name: 4-[3-[(dipropylamino)methyl]-4-methoxy-phenyl]-5-hydroxy-2H-isoquinolin-1-one CAS Name: 4-[3-[(dipropylamino)methyl]-4-methoxyphenyl]-5-hydroxy-2H-isoquinolin-1-one IUPAC Name: 4-[3-[(dipropylamino)methyl]-4-methoxyphenyl]-5-hydroxy-2H-isoquinolin-1-one Traditional Name: 4-[3-[(dipropylamino)methyl]-4-methoxy-phenyl]-5-hydroxy-isocarbostyril Formula: C23H28N2O3 MolecularWeight: 380.48002

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O3/c1-4-11-25(12-5-2)15-17-13-16(9-10-21(17)28-3)19-14-24-23(27)18-7-6-8-20(26)22(18)19/h6-10,13-14,26H,4-5,11-12,15H2,1-3H3,(H,24,27)