methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methyl-propanoate

Systemtic Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methyl-propanoate Openeye Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]-2-methyl-propanoate CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]-2-methylpropanoate Traditional Name: 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]-2-methyl-propionic acid methyl ester Formula: C26H31N3O2 MolecularWeight: 417.54324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C(=O)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)CC(C)C(=O)OC

InChI

InChI=1S/C26H31N3O2/c1-4-28-13-15-29(16-14-28)25-23-8-6-5-7-22(23)18-24(27-25)21-11-9-20(10-12-21)17-19(2)26(30)31-3/h5-12,18-19H,4,13-17H2,1-3H3