tert-butyl 1-(4-oxidanylidene-1H-quinazolin-2-yl)piperazine-2-carboxylate

Systemtic Name: tert-butyl 1-(4-oxidanylidene-1H-quinazolin-2-yl)piperazine-2-carboxylate Openeye Name: tert-butyl 1-(4-oxo-1H-quinazolin-2-yl)piperazine-2-carboxylate CAS Name: 1-(4-oxo-1H-quinazolin-2-yl)-2-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-oxo-1H-quinazolin-2-yl)piperazine-2-carboxylate Traditional Name: 1-(4-keto-1H-quinazolin-2-yl)piperazine-2-carboxylic acid tert-butyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CNCCN1C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)C1CNCCN1C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H22N4O3/c1-17(2,3)24-15(23)13-10-18-8-9-21(13)16-19-12-7-5-4-6-11(12)14(22)20-16/h4-7,13,18H,8-10H2,1-3H3,(H,19,20,22)