1-(4-ethylpiperazin-1-yl)-3-(3-fluoranyl-4-phenylmethoxy-phenyl)isoquinoline

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-(3-fluoranyl-4-phenylmethoxy-phenyl)isoquinoline Openeye Name: 3-(4-benzyloxy-3-fluoro-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline CAS Name: 1-(4-ethyl-1-piperazinyl)-3-(3-fluoro-4-phenylmethoxyphenyl)isoquinoline IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-(3-fluoro-4-phenylmethoxyphenyl)isoquinoline Traditional Name: 3-(4-benzoxy-3-fluoro-phenyl)-1-(4-ethylpiperazino)isoquinoline Formula: C28H28FN3O MolecularWeight: 441.539823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28FN3O/c1-2-31-14-16-32(17-15-31)28-24-11-7-6-10-22(24)19-26(30-28)23-12-13-27(25(29)18-23)33-20-21-8-4-3-5-9-21/h3-13,18-19H,2,14-17,20H2,1H3