[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O4/c22-14-21(11-4-1-5-12-21)25-18(26)13-29-19(27)10-6-9-17-23-16-8-3-2-7-15(16)20(28)24-17/h2-3,7-8H,1,4-6,9-13H2,(H,25,26)(H,23,24,28)