tert-butyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl-ethyl-carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29ClN4O4/c1-5-26(13-18-24-17-12-15(23)6-7-16(17)19(28)25-18)20(29)14-8-10-27(11-9-14)21(30)31-22(2,3)4/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,24,25,28)