tert-butyl 4-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(7-chloranyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(7-chloro-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(7-chloro-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(7-chloro-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23ClN4O3 MolecularWeight: 378.85322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Cl

InChI

InChI=1S/C18H23ClN4O3/c1-18(2,3)26-17(25)22-8-6-21(7-9-22)12-14-10-16(24)23-11-13(19)4-5-15(23)20-14/h4-5,10-11H,6-9,12H2,1-3H3