tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(pyrazin-2-ylmethyl)amino]carbamate

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(pyrazin-2-ylmethyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(pyrazin-2-ylmethyl)amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-(2-pyrazinylmethyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(pyrazin-2-ylmethyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(pyrazin-2-ylmethyl)amino]carbamic acid tert-butyl ester Formula: C25H27ClN6O5 MolecularWeight: 526.97208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=NC=CN=C1)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=NC=CN=C1)C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4

InChI

InChI=1S/C25H27ClN6O5/c1-25(2,3)37-24(36)30-32(14-16-13-27-8-9-28-16)22(34)19-20(23(35)31-10-4-5-11-31)29-18-12-15(26)6-7-17(18)21(19)33/h6-9,12-13H,4-5,10-11,14H2,1-3H3,(H,29,33)(H,30,36)