1-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propan-2-one

Systemtic Name: 1-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propan-2-one Openeye Name: 1-[4-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]phenoxy]propan-2-one CAS Name: 1-[4-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]-2-propanone IUPAC Name: 1-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]propan-2-one Traditional Name: 1-[4-[1-(4-methylpiperazino)-3-isoquinolyl]phenoxy]acetone Formula: C23H25N3O2 MolecularWeight: 375.4635

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)C

Isomeric SMILES

CC(=O)COC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)N4CCN(CC4)C

InChI

InChI=1S/C23H25N3O2/c1-17(27)16-28-20-9-7-18(8-10-20)22-15-19-5-3-4-6-21(19)23(24-22)26-13-11-25(2)12-14-26/h3-10,15H,11-14,16H2,1-2H3