1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline hydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline hydrochloride Openeye Name: 3-[4-(2-benzyloxyethoxy)-2-methoxy-phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline hydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline hydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-[2-methoxy-4-(2-phenylmethoxyethoxy)phenyl]isoquinoline hydrochloride Traditional Name: 3-[4-(2-benzoxyethoxy)-2-methoxy-phenyl]-1-(4-ethylpiperazino)isoquinoline hydrochloride Formula: C31H36ClN3O3 MolecularWeight: 534.08884

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=C(C=C(C=C4)OCCOCC5=CC=CC=C5)OC.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=C(C=C(C=C4)OCCOCC5=CC=CC=C5)OC.Cl

InChI

InChI=1S/C31H35N3O3.ClH/c1-3-33-15-17-34(18-16-33)31-27-12-8-7-11-25(27)21-29(32-31)28-14-13-26(22-30(28)35-2)37-20-19-36-23-24-9-5-4-6-10-24;/h4-14,21-22H,3,15-20,23H2,1-2H3;1H