1-(2-fluorophenyl)-3-(4-methylpiperazin-1-yl)isoquinoline-4-carbaldehyde

Systemtic Name: 1-(2-fluorophenyl)-3-(4-methylpiperazin-1-yl)isoquinoline-4-carbaldehyde Openeye Name: 1-(2-fluorophenyl)-3-(4-methylpiperazin-1-yl)isoquinoline-4-carbaldehyde CAS Name: 1-(2-fluorophenyl)-3-(4-methyl-1-piperazinyl)-4-isoquinolinecarboxaldehyde IUPAC Name: 1-(2-fluorophenyl)-3-(4-methylpiperazin-1-yl)isoquinoline-4-carbaldehyde Traditional Name: 1-(2-fluorophenyl)-3-(4-methylpiperazino)isoquinoline-4-carbaldehyde Formula: C21H20FN3O MolecularWeight: 349.401403

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)C=O

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=CC=CC=C3C(=N2)C4=CC=CC=C4F)C=O

InChI

InChI=1S/C21H20FN3O/c1-24-10-12-25(13-11-24)21-18(14-26)15-6-2-3-7-16(15)20(23-21)17-8-4-5-9-19(17)22/h2-9,14H,10-13H2,1H3