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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(1-pyridin-4-ylpropyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[1-(4-pyridyl)propyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-(1-pyridin-4-ylpropyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(1-pyridin-4-ylpropyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[1-(4-pyridyl)propyl]amino]carbamic acid tert-butyl ester Formula: C28H32ClN5O5 MolecularWeight: 554.03718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=NC=C1)N(C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=CC=NC=C1)N(C(=O)C2=C(NC3=C(C2=O)C=CC(=C3)Cl)C(=O)N4CCCC4)NC(=O)OC(C)(C)C

InChI

InChI=1S/C28H32ClN5O5/c1-5-21(17-10-12-30-13-11-17)34(32-27(38)39-28(2,3)4)25(36)22-23(26(37)33-14-6-7-15-33)31-20-16-18(29)8-9-19(20)24(22)35/h8-13,16,21H,5-7,14-15H2,1-4H3,(H,31,35)(H,32,38)