1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-(2-phenylmethoxyethoxy)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-(2-phenylmethoxyethoxy)isoquinoline Openeye Name: 4-(2-benzyloxyethoxy)-1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(3-methoxyphenyl)-4-(2-phenylmethoxyethoxy)isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(3-methoxyphenyl)-4-(2-phenylmethoxyethoxy)isoquinoline Traditional Name: 4-(2-benzoxyethoxy)-1-(4-ethylpiperazino)-3-(3-methoxyphenyl)isoquinoline Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCOCC4=CC=CC=C4)C5=CC(=CC=C5)OC

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=C(C3=CC=CC=C32)OCCOCC4=CC=CC=C4)C5=CC(=CC=C5)OC

InChI

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