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

Systemtic Name: methyl 1-[(4-fluorophenyl)methylamino]isoquinoline-4-carboxylate Openeye Name: methyl 1-[(4-fluorophenyl)methylamino]isoquinoline-4-carboxylate CAS Name: 1-[(4-fluorophenyl)methylamino]-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-fluorophenyl)methylamino]isoquinoline-4-carboxylate Traditional Name: 1-[(4-fluorobenzyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C18H15FN2O2 MolecularWeight: 310.322303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN=C(C2=CC=CC=C21)NCC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1=CN=C(C2=CC=CC=C21)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O2/c1-23-18(22)16-11-21-17(15-5-3-2-4-14(15)16)20-10-12-6-8-13(19)9-7-12/h2-9,11H,10H2,1H3,(H,20,21)