methyl 1-[(4-fluorophenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(4-fluorophenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(4-fluoroanilino)isoquinoline-4-carboxylate CAS Name: 1-(4-fluoroanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-fluoroanilino)isoquinoline-4-carboxylate Traditional Name: 1-(4-fluoroanilino)isoquinoline-4-carboxylic acid methyl ester Formula: C17H13FN2O2 MolecularWeight: 296.295723

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NC3=CC=C(C=C3)F

InChI

InChI=1S/C17H13FN2O2/c1-22-17(21)15-10-19-16(14-5-3-2-4-13(14)15)20-12-8-6-11(18)7-9-12/h2-10H,1H3,(H,19,20)