[2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(3-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[(3-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N(C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C22H22FN3O4/c1-3-11-26-21(28)18-10-5-4-9-17(18)20(24-26)22(29)30-14-19(27)25(2)13-15-7-6-8-16(23)12-15/h4-10,12H,3,11,13-14H2,1-2H3