tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-piperidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(3-piperazin-1-ylcarbonylphenyl)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[(7-chloranyl-4-oxidanylidene-2-piperidin-1-ylcarbonyl-1H-quinolin-3-yl)carbonyl-[(3-piperazin-1-ylcarbonylphenyl)methyl]amino]carbamate Openeye Name: tert-butyl N-[[7-chloro-4-oxo-2-(piperidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[[3-(piperazine-1-carbonyl)phenyl]methyl]amino]carbamate CAS Name: N-[[[7-chloro-4-oxo-2-[oxo(1-piperidinyl)methyl]-1H-quinolin-3-yl]-oxomethyl]-[[3-[oxo(1-piperazinyl)methyl]phenyl]methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[7-chloro-4-oxo-2-(piperidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[[3-(piperazine-1-carbonyl)phenyl]methyl]amino]carbamate Traditional Name: N-[[7-chloro-4-keto-2-(piperidine-1-carbonyl)-1H-quinoline-3-carbonyl]-[3-(piperazine-1-carbonyl)benzyl]amino]carbamic acid tert-butyl ester Formula: C33H39ClN6O6 MolecularWeight: 651.15236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C(=O)N2CCNCC2)C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCCC5

Isomeric SMILES

CC(C)(C)OC(=O)NN(CC1=CC=CC(=C1)C(=O)N2CCNCC2)C(=O)C3=C(NC4=C(C3=O)C=CC(=C4)Cl)C(=O)N5CCCCC5

InChI

InChI=1S/C33H39ClN6O6/c1-33(2,3)46-32(45)37-40(20-21-8-7-9-22(18-21)29(42)39-16-12-35-13-17-39)30(43)26-27(31(44)38-14-5-4-6-15-38)36-25-19-23(34)10-11-24(25)28(26)41/h7-11,18-19,35H,4-6,12-17,20H2,1-3H3,(H,36,41)(H,37,45)