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

Systemtic Name: N-ethyl-N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-ethyl-N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-ethyl-N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-ethyl-N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-ethyl-N-(4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C29H29FN4O2 MolecularWeight: 484.564563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29FN4O2/c1-3-34(22-14-12-21(30)13-15-22)29(35)25-20-31-28(24-9-5-4-8-23(24)25)33-18-16-32(17-19-33)26-10-6-7-11-27(26)36-2/h4-15,20H,3,16-19H2,1-2H3