[2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate

Systemtic Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxidanylidene-ethyl] 1-oxidanylidene-2H-isoquinoline-3-carboxylate Openeye Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxo-ethyl] 1-oxo-2H-isoquinoline-3-carboxylate CAS Name: 1-oxo-2H-isoquinoline-3-carboxylic acid [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-2-oxoethyl] 1-oxo-2H-isoquinoline-3-carboxylate Traditional Name: 1-keto-2H-isoquinoline-3-carboxylic acid [2-[cyclopropyl-(2-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C22H19FN2O4 MolecularWeight: 394.395663

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CC1N(CC2=CC=CC=C2F)C(=O)COC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H19FN2O4/c23-18-8-4-2-6-15(18)12-25(16-9-10-16)20(26)13-29-22(28)19-11-14-5-1-3-7-17(14)21(27)24-19/h1-8,11,16H,9-10,12-13H2,(H,24,27)