ethyl 2-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[1-(4-methylpiperazin-1-yl)-3-isoquinolyl]phenoxy]acetate CAS Name: 2-[4-[1-(4-methyl-1-piperazinyl)-3-isoquinolinyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[1-(4-methylpiperazin-1-yl)isoquinolin-3-yl]phenoxy]acetate Traditional Name: 2-[4-[1-(4-methylpiperazino)-3-isoquinolyl]phenoxy]acetic acid ethyl ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-3-29-23(28)17-30-20-10-8-18(9-11-20)22-16-19-6-4-5-7-21(19)24(25-22)27-14-12-26(2)13-15-27/h4-11,16H,3,12-15,17H2,1-2H3