methyl 1-[(3-fluoranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxylate

Systemtic Name: methyl 1-[(3-fluoranyl-4-methyl-phenyl)amino]isoquinoline-4-carboxylate Openeye Name: methyl 1-(3-fluoro-4-methyl-anilino)isoquinoline-4-carboxylate CAS Name: 1-(3-fluoro-4-methylanilino)-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-(3-fluoro-4-methylanilino)isoquinoline-4-carboxylate Traditional Name: 1-(3-fluoro-4-methyl-anilino)isoquinoline-4-carboxylic acid methyl ester Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C3=CC=CC=C32)C(=O)OC)F

InChI

InChI=1S/C18H15FN2O2/c1-11-7-8-12(9-16(11)19)21-17-14-6-4-3-5-13(14)15(10-20-17)18(22)23-2/h3-10H,1-2H3,(H,20,21)