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

Systemtic Name: [4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]cyclohexyl] ethanoate Openeye Name: [4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]cyclohexyl] acetate CAS Name: acetic acid [4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]cyclohexyl] ester IUPAC Name: [4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]cyclohexyl] acetate Traditional Name: acetic acid [4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]cyclohexyl] ester Formula: C29H35N3O2 MolecularWeight: 457.6071

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCC(CC5)OC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5CCC(CC5)OC(=O)C

InChI

InChI=1S/C29H35N3O2/c1-3-31-16-18-32(19-17-31)29-27-7-5-4-6-25(27)20-28(30-29)24-10-8-22(9-11-24)23-12-14-26(15-13-23)34-21(2)33/h4-11,20,23,26H,3,12-19H2,1-2H3