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

Systemtic Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxy-phenyl]propyl ethanoate Openeye Name: 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]-2-methoxy-phenyl]propyl acetate CAS Name: acetic acid 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]-2-methoxyphenyl]propyl ester IUPAC Name: 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]-2-methoxyphenyl]propyl acetate Traditional Name: acetic acid 3-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]-2-methoxy-phenyl]propyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3/c1-4-29-13-15-30(16-14-29)27-24-10-6-5-8-22(24)18-25(28-27)23-12-11-21(26(19-23)32-3)9-7-17-33-20(2)31/h5-6,8,10-12,18-19H,4,7,9,13-17H2,1-3H3