[2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[(2-chlorophenyl)methylamino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[(2-chlorophenyl)methylamino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-[(2-chlorobenzyl)amino]-2-keto-ethyl] ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClN3O4/c1-13(2)25-20(27)16-9-5-4-8-15(16)19(24-25)21(28)29-12-18(26)23-11-14-7-3-6-10-17(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,26)