[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3)C4(CCCCC4)C#N

InChI

InChI=1S/C25H24N4O4/c1-28(25(17-26)14-8-3-9-15-25)21(30)16-33-24(32)22-19-12-6-7-13-20(19)23(31)29(27-22)18-10-4-2-5-11-18/h2,4-7,10-13H,3,8-9,14-16H2,1H3