N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-(4-ethyl-1-piperazinyl)-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-(4-ethylpiperazin-1-yl)isoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-(4-ethylpiperazino)isoquinoline-4-carboxamide Formula: C22H22ClFN4O MolecularWeight: 412.887683

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClFN4O/c1-2-27-9-11-28(12-10-27)21-17-6-4-3-5-16(17)18(14-25-21)22(29)26-15-7-8-20(24)19(23)13-15/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)