N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-isoquinoline-4-carboxamide

Systemtic Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-isoquinoline-4-carboxamide Openeye Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-isoquinoline-4-carboxamide CAS Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-N-methyl-4-isoquinolinecarboxamide IUPAC Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylisoquinoline-4-carboxamide Traditional Name: N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazino]-N-methyl-isoquinoline-4-carboxamide Formula: C28H27FN4O2 MolecularWeight: 470.537983

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)F)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

Isomeric SMILES

CN(C1=CC=C(C=C1)F)C(=O)C2=CN=C(C3=CC=CC=C32)N4CCN(CC4)C5=CC=CC=C5OC

InChI

InChI=1S/C28H27FN4O2/c1-31(21-13-11-20(29)12-14-21)28(34)24-19-30-27(23-8-4-3-7-22(23)24)33-17-15-32(16-18-33)25-9-5-6-10-26(25)35-2/h3-14,19H,15-18H2,1-2H3