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

Systemtic Name: tert-butyl N-[but-3-yn-2-yl-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl]amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(1-methylprop-2-ynyl)amino]carbamate CAS Name: N-[but-3-yn-2-yl-[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[but-3-yn-2-yl-[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(1-methylprop-2-ynyl)amino]carbamic acid tert-butyl ester Formula: C24H27ClN4O5 MolecularWeight: 486.94798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)N(C(=O)C1=C(NC2=C(C1=O)C=CC(=C2)Cl)C(=O)N3CCCC3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C#C)N(C(=O)C1=C(NC2=C(C1=O)C=CC(=C2)Cl)C(=O)N3CCCC3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C24H27ClN4O5/c1-6-14(2)29(27-23(33)34-24(3,4)5)21(31)18-19(22(32)28-11-7-8-12-28)26-17-13-15(25)9-10-16(17)20(18)30/h1,9-10,13-14H,7-8,11-12H2,2-5H3,(H,26,30)(H,27,33)