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

Systemtic Name: tert-butyl 4-[methyl-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(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)N1CCC(CC1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

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