1-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)isoquinoline-4-carboxamide

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)isoquinoline-4-carboxamide Openeye Name: 1-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)isoquinoline-4-carboxamide CAS Name: 1-(4-ethyl-1-piperazinyl)-N-(4-fluorophenyl)-4-isoquinolinecarboxamide IUPAC Name: 1-(4-ethylpiperazin-1-yl)-N-(4-fluorophenyl)isoquinoline-4-carboxamide Traditional Name: 1-(4-ethylpiperazino)-N-(4-fluorophenyl)isoquinoline-4-carboxamide Formula: C22H23FN4O MolecularWeight: 378.442623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CCN1CCN(CC1)C2=NC=C(C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H23FN4O/c1-2-26-11-13-27(14-12-26)21-19-6-4-3-5-18(19)20(15-24-21)22(28)25-17-9-7-16(23)8-10-17/h3-10,15H,2,11-14H2,1H3,(H,25,28)