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

Systemtic Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanoate Openeye Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]butanoate CAS Name: 3-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]butanoate Traditional Name: 3-[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)C(C)CC(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O2/c1-4-29-14-16-30(17-15-29)27-24-9-7-6-8-23(24)19-25(28-27)22-12-10-21(11-13-22)20(3)18-26(31)32-5-2/h6-13,19-20H,4-5,14-18H2,1-3H3