[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-1-oxidanylidene-phthalazin-2-yl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-carbamoyl-1-oxo-phthalazin-2-yl)acetate CAS Name: 2-(4-carbamoyl-1-oxo-2-phthalazinyl)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-carbamoyl-1-oxophthalazin-2-yl)acetate Traditional Name: 2-(4-carbamoyl-1-keto-phthalazin-2-yl)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N)C3(CCCCC3)C#N

InChI

InChI=1S/C21H23N5O5/c1-25(21(13-22)9-5-2-6-10-21)16(27)12-31-17(28)11-26-20(30)15-8-4-3-7-14(15)18(24-26)19(23)29/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,23,29)