3-[4-[3-(butylamino)-2-oxidanyl-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one

Systemtic Name: 3-[4-[3-(butylamino)-2-oxidanyl-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-[3-(butylamino)-2-hydroxy-propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[4-[3-(butylamino)-2-hydroxypropoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one Traditional Name: 3-[4-[3-(butylamino)-2-hydroxy-propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril Formula: C24H30N2O4 MolecularWeight: 410.506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC(COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O

Isomeric SMILES

CCCCNCC(COC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC)C(=O)N2C)O

InChI

InChI=1S/C24H30N2O4/c1-4-5-12-25-15-19(27)16-30-20-9-6-17(7-10-20)23-13-18-8-11-21(29-3)14-22(18)24(28)26(23)2/h6-11,13-14,19,25,27H,4-5,12,15-16H2,1-3H3