ethyl 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanoate

Systemtic Name: ethyl 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanoate Openeye Name: ethyl 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butanoate CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanoate Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]butyric acid ethyl ester Formula: C27H33N3O2 MolecularWeight: 431.56982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c1-3-29-16-18-30(19-17-29)27-24-10-6-5-9-23(24)20-25(28-27)22-14-12-21(13-15-22)8-7-11-26(31)32-4-2/h5-6,9-10,12-15,20H,3-4,7-8,11,16-19H2,1-2H3