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

Systemtic Name: 3-[4-[3-(3-azanylpropylamino)propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one Openeye Name: 3-[4-[3-(3-aminopropylamino)propoxy]phenyl]-7-methoxy-2-methyl-isoquinolin-1-one CAS Name: 3-[4-[3-(3-aminopropylamino)propoxy]phenyl]-7-methoxy-2-methyl-1-isoquinolinone IUPAC Name: 3-[4-[3-(3-aminopropylamino)propoxy]phenyl]-7-methoxy-2-methylisoquinolin-1-one Traditional Name: 3-[4-[3-(3-aminopropylamino)propoxy]phenyl]-7-methoxy-2-methyl-isocarbostyril Formula: C23H29N3O3 MolecularWeight: 395.49466

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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)OCCCNCCCN

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-26-22(15-18-7-10-20(28-2)16-21(18)23(26)27)17-5-8-19(9-6-17)29-14-4-13-25-12-3-11-24/h5-10,15-16,25H,3-4,11-14,24H2,1-2H3