4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]cyclohex-3-en-1-ol hydrochloride

Systemtic Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]cyclohex-3-en-1-ol hydrochloride Openeye Name: 4-[4-[1-(4-ethylpiperazin-1-yl)-3-isoquinolyl]phenyl]cyclohex-3-en-1-ol hydrochloride CAS Name: 4-[4-[1-(4-ethyl-1-piperazinyl)-3-isoquinolinyl]phenyl]-1-cyclohex-3-enol hydrochloride IUPAC Name: 4-[4-[1-(4-ethylpiperazin-1-yl)isoquinolin-3-yl]phenyl]cyclohex-3-en-1-ol hydrochloride Traditional Name: 4-[4-[1-(4-ethylpiperazino)-3-isoquinolyl]phenyl]cyclohex-3-en-1-ol hydrochloride Formula: C27H32ClN3O MolecularWeight: 450.01548

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)C5=CCC(CC5)O.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)C5=CCC(CC5)O.Cl

InChI

InChI=1S/C27H31N3O.ClH/c1-2-29-15-17-30(18-16-29)27-25-6-4-3-5-23(25)19-26(28-27)22-9-7-20(8-10-22)21-11-13-24(31)14-12-21;/h3-11,19,24,31H,2,12-18H2,1H3;1H