[2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-3-15(4-2)23-19(26)14-29-22(28)20-17-12-8-9-13-18(17)21(27)25(24-20)16-10-6-5-7-11-16/h5-13,15H,3-4,14H2,1-2H3,(H,23,26)