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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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