[2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: [2-(naphthalen-2-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(2-naphthylamino)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(2-naphthalenylamino)-2-oxoethyl] ester IUPAC Name: [2-(naphthalen-2-ylamino)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(2-naphthylamino)ethyl] ester Formula: C28H21N3O4 MolecularWeight: 463.48404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OCC(=O)NC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H21N3O4/c32-25(29-22-15-14-20-10-4-5-11-21(20)16-22)18-35-28(34)26-23-12-6-7-13-24(23)27(33)31(30-26)17-19-8-2-1-3-9-19/h1-16H,17-18H2,(H,29,32)