[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-(dibenzylamino)-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[bis(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(dibenzylamino)-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-(dibenzylamino)-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C25H21N3O4/c29-22(17-32-25(31)23-20-13-7-8-14-21(20)24(30)27-26-23)28(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-14H,15-17H2,(H,27,30)