tert-butyl 4-[4-aminocarbonyl-2,6-bis(chloranyl)quinolin-3-yl]-3-methyl-piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-aminocarbonyl-2,6-bis(chloranyl)quinolin-3-yl]-3-methyl-piperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-carbamoyl-2,6-dichloro-3-quinolyl)-3-methyl-piperazine-1-carboxylate CAS Name: 4-(4-carbamoyl-2,6-dichloro-3-quinolinyl)-3-methyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-carbamoyl-2,6-dichloroquinolin-3-yl)-3-methylpiperazine-1-carboxylate Traditional Name: 4-(4-carbamoyl-2,6-dichloro-3-quinolyl)-3-methyl-piperazine-1-carboxylic acid tert-butyl ester Formula: C20H24Cl2N4O3 MolecularWeight: 439.33556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=C(N=C3C=CC(=CC3=C2C(=O)N)Cl)Cl)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCN1C2=C(N=C3C=CC(=CC3=C2C(=O)N)Cl)Cl)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H24Cl2N4O3/c1-11-10-25(19(28)29-20(2,3)4)7-8-26(11)16-15(18(23)27)13-9-12(21)5-6-14(13)24-17(16)22/h5-6,9,11H,7-8,10H2,1-4H3,(H2,23,27)