tert-butyl 3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[(4-keto-1H-quinazolin-2-yl)methyl-methyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H28N4O4/c1-21(2,3)29-20(28)25-11-7-8-14(12-25)19(27)24(4)13-17-22-16-10-6-5-9-15(16)18(26)23-17/h5-6,9-10,14H,7-8,11-13H2,1-4H3,(H,22,23,26)