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

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-pyrrolidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[[3-(dimethylcarbamoylamino)phenyl]methyl]amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[[3-(dimethylcarbamoylamino)phenyl]methyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-pyrrolidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[[3-[[dimethylamino(oxo)methyl]amino]phenyl]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[[3-(dimethylcarbamoylamino)phenyl]methyl]amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(pyrrolidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(dimethylcarbamoylamino)benzyl]amino]carbamic acid tert-butyl ester Formula: C30H35ClN6O6 MolecularWeight: 611.0885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35ClN6O6/c1-30(2,3)43-29(42)34-37(17-18-9-8-10-20(15-18)32-28(41)35(4)5)26(39)23-24(27(40)36-13-6-7-14-36)33-22-16-19(31)11-12-21(22)25(23)38/h8-12,15-16H,6-7,13-14,17H2,1-5H3,(H,32,41)(H,33,38)(H,34,42)