1-(4-ethylpiperazin-1-yl)-6-fluoranyl-3-[4-(2-phenylmethoxyethoxy)phenyl]isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-6-fluoranyl-3-[4-(2-phenylmethoxyethoxy)phenyl]isoquinoline Openeye Name: 3-[4-(2-benzyloxyethoxy)phenyl]-1-(4-ethylpiperazin-1-yl)-6-fluoro-isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-6-fluoro-3-[4-(2-phenylmethoxyethoxy)phenyl]isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-6-fluoro-3-[4-(2-phenylmethoxyethoxy)phenyl]isoquinoline Traditional Name: 3-[4-(2-benzoxyethoxy)phenyl]-1-(4-ethylpiperazino)-6-fluoro-isoquinoline Formula: C30H32FN3O2 MolecularWeight: 485.592383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C3C=CC(=CC3=CC(=N2)C4=CC=C(C=C4)OCCOCC5=CC=CC=C5)F

Isomeric SMILES

CCN1CCN(CC1)C2=C3C=CC(=CC3=CC(=N2)C4=CC=C(C=C4)OCCOCC5=CC=CC=C5)F

InChI

InChI=1S/C30H32FN3O2/c1-2-33-14-16-34(17-15-33)30-28-13-10-26(31)20-25(28)21-29(32-30)24-8-11-27(12-9-24)36-19-18-35-22-23-6-4-3-5-7-23/h3-13,20-21H,2,14-19,22H2,1H3