N-[(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

Systemtic Name: N-[(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide Openeye Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)-4-isoquinolinecarboxamide IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(2-methoxyanilino)isoquinoline-4-carboxamide Traditional Name: N-(4-fluorobenzyl)-1-(o-anisidino)isoquinoline-4-carboxamide Formula: C24H20FN3O2 MolecularWeight: 401.432903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC=C1NC2=NC=C(C3=CC=CC=C32)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O2/c1-30-22-9-5-4-8-21(22)28-23-19-7-3-2-6-18(19)20(15-26-23)24(29)27-14-16-10-12-17(25)13-11-16/h2-13,15H,14H2,1H3,(H,26,28)(H,27,29)