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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(3-phenylprop-2-ynyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-phenylprop-2-ynyl)amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-(3-phenylprop-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-phenylprop-2-ynyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-phenylprop-2-ynyl)amino]carbamic acid tert-butyl ester Formula: C29H29ClN4O5 MolecularWeight: 549.01736

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H29ClN4O5/c1-29(2,3)39-28(38)32-34(17-9-12-19-10-5-4-6-11-19)26(36)23-24(27(37)33-15-7-8-16-33)31-22-18-20(30)13-14-21(22)25(23)35/h4-6,10-11,13-14,18H,7-8,15-17H2,1-3H3,(H,31,35)(H,32,38)