tert-butyl 4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-oxo-1H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-(4-keto-1H-quinazolin-2-yl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)28-19(27)24-12-10-23(11-13-24)17(25)9-8-16-21-15-7-5-4-6-14(15)18(26)22-16/h4-7H,8-13H2,1-3H3,(H,21,22,26)