[2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl] ethanoate

Systemtic Name: [2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl] ethanoate Openeye Name: [2-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]tetrahydropyran-4-yl] acetate CAS Name: acetic acid [2-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-4-oxanyl] ester IUPAC Name: [2-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]oxan-4-yl] acetate Traditional Name: acetic acid [2-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]tetrahydropyran-4-yl] ester Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CC(CCO5)OC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CC(CCO5)OC(=O)C

InChI

InChI=1S/C28H33N3O3/c1-3-30-13-15-31(16-14-30)28-25-7-5-4-6-23(25)18-26(29-28)21-8-10-22(11-9-21)27-19-24(12-17-33-27)34-20(2)32/h4-11,18,24,27H,3,12-17,19H2,1-2H3