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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-(1-pyridin-4-ylethyl)amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[1-(4-pyridyl)ethyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-(1-pyridin-4-ylethyl)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-ylethyl)amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[1-(4-pyridyl)ethyl]amino]carbamic acid tert-butyl ester Formula: C27H30ClN5O5 MolecularWeight: 540.0106

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C27H30ClN5O5/c1-16(17-9-11-29-12-10-17)33(31-26(37)38-27(2,3)4)24(35)21-22(25(36)32-13-5-6-14-32)30-20-15-18(28)7-8-19(20)23(21)34/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,30,34)(H,31,37)