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

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

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

Isomeric SMILES

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

InChI

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