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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(pyridin-3-ylmethyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-pyridylmethyl)amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-(3-pyridinylmethyl)amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(pyridin-3-ylmethyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-(3-pyridylmethyl)amino]carbamic acid tert-butyl ester Formula: C26H28ClN5O5 MolecularWeight: 525.98402

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H28ClN5O5/c1-26(2,3)37-25(36)30-32(15-16-7-6-10-28-14-16)23(34)20-21(24(35)31-11-4-5-12-31)29-19-13-17(27)8-9-18(19)22(20)33/h6-10,13-14H,4-5,11-12,15H2,1-3H3,(H,29,33)(H,30,36)