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

Systemtic Name: 3-[4-[3-(2-azanylethylamino)propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-[3-(2-aminoethylamino)propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[4-[3-(2-aminoethylamino)propoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[4-[3-(2-aminoethylamino)propoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one Traditional Name: 3-[4-[3-(2-aminoethylamino)propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OCCCNCCN

Isomeric SMILES

CN1C(=CC2=C(C1=O)C=C(C=C2)OC)C3=CC=C(C=C3)OCCCNCCN

InChI

InChI=1S/C22H27N3O3/c1-25-21(14-17-6-9-19(27-2)15-20(17)22(25)26)16-4-7-18(8-5-16)28-13-3-11-24-12-10-23/h4-9,14-15,24H,3,10-13,23H2,1-2H3