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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC1=NC(=O)C2=CC=CC=C2N1)C3(CCCCC3)C#N

InChI

InChI=1S/C21H24N4O4/c1-25(21(14-22)11-5-2-6-12-21)18(26)13-29-19(27)10-9-17-23-16-8-4-3-7-15(16)20(28)24-17/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,23,24,28)