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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(3-pyridin-3-ylprop-2-ynyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(3-pyridyl)prop-2-ynyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[3-(3-pyridinyl)prop-2-ynyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-pyridin-3-ylprop-2-ynyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(3-pyridyl)prop-2-ynyl]amino]carbamic acid tert-butyl ester Formula: C28H28ClN5O5 MolecularWeight: 550.00542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClN5O5/c1-28(2,3)39-27(38)32-34(15-7-9-18-8-6-12-30-17-18)25(36)22-23(26(37)33-13-4-5-14-33)31-21-16-19(29)10-11-20(21)24(22)35/h6,8,10-12,16-17H,4-5,13-15H2,1-3H3,(H,31,35)(H,32,38)