[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4/c1-30-26(32)23-15-9-8-14-22(23)25(29-30)27(33)34-18-24(31)28-17-16-21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-15,21H,16-18H2,1H3,(H,28,31)