[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CC1=NNC(=O)C2=CC=CC=C21)C3(CCCCC3)C#N

InChI

InChI=1S/C20H22N4O4/c1-24(20(13-21)9-5-2-6-10-20)17(25)12-28-18(26)11-16-14-7-3-4-8-15(14)19(27)23-22-16/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,23,27)