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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidenequinazolin-3-yl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-oxoquinazolin-3-yl)acetate CAS Name: 2-(4-oxo-3-quinazolinyl)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate Traditional Name: 2-(4-ketoquinazolin-3-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)CN1C=NC2=CC=CC=C2C1=O)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CN1C=NC2=CC=CC=C2C1=O)C3(CCCCC3)C#N

InChI

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