N-(3-chloranyl-4-fluoranyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide CAS Name: N-(3-chloro-4-fluorophenyl)-1-[4-(2-methoxyphenyl)-1-piperazinyl]-4-isoquinolinecarboxamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-1-[4-(2-methoxyphenyl)piperazino]isoquinoline-4-carboxamide Formula: C27H24ClFN4O2 MolecularWeight: 490.956463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5)F)Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC=C(C4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5)F)Cl

InChI

InChI=1S/C27H24ClFN4O2/c1-35-25-9-5-4-8-24(25)32-12-14-33(15-13-32)26-20-7-3-2-6-19(20)21(17-30-26)27(34)31-18-10-11-23(29)22(28)16-18/h2-11,16-17H,12-15H2,1H3,(H,31,34)