[1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-[(4-fluorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C20H18FN3O4 MolecularWeight: 383.373023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)F)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C20H18FN3O4/c1-12(18(25)22-11-13-7-9-14(21)10-8-13)28-20(27)17-15-5-3-4-6-16(15)19(26)24(2)23-17/h3-10,12H,11H2,1-2H3,(H,22,25)