3-[3,5-bis(fluoranyl)-4-phenylmethoxy-phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline

Systemtic Name: 3-[3,5-bis(fluoranyl)-4-phenylmethoxy-phenyl]-1-(4-ethylpiperazin-1-yl)isoquinoline Openeye Name: 3-(4-benzyloxy-3,5-difluoro-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 3-(3,5-difluoro-4-phenylmethoxyphenyl)-1-(4-ethyl-1-piperazinyl)isoquinoline IUPAC Name: 3-(3,5-difluoro-4-phenylmethoxyphenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline Traditional Name: 3-(4-benzoxy-3,5-difluoro-phenyl)-1-(4-ethylpiperazino)isoquinoline Formula: C28H27F2N3O MolecularWeight: 459.530286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C(=C4)F)OCC5=CC=CC=C5)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC(=C(C(=C4)F)OCC5=CC=CC=C5)F

InChI

InChI=1S/C28H27F2N3O/c1-2-32-12-14-33(15-13-32)28-23-11-7-6-10-21(23)18-26(31-28)22-16-24(29)27(25(30)17-22)34-19-20-8-4-3-5-9-20/h3-11,16-18H,2,12-15,19H2,1H3