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

Systemtic Name: [2-[(4-methylphenyl)methyl-propyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-[propyl(p-tolylmethyl)amino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-keto-2-[(4-methylbenzyl)-propyl-amino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)COC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H23N3O4/c1-3-12-25(13-16-10-8-15(2)9-11-16)19(26)14-29-22(28)20-17-6-4-5-7-18(17)21(27)24-23-20/h4-11H,3,12-14H2,1-2H3,(H,24,27)