tert-butyl N-[5-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]-2,3-dihydro-1H-inden-1-yl]carbamate

Systemtic Name: tert-butyl N-[5-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]-2,3-dihydro-1H-inden-1-yl]carbamate Openeye Name: tert-butyl N-[5-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]indan-1-yl]carbamate CAS Name: N-[5-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]-2,3-dihydro-1H-inden-1-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]-2,3-dihydro-1H-inden-1-yl]carbamate Traditional Name: N-[5-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]indan-1-yl]carbamic acid tert-butyl ester Formula: C32H33ClN4O4 MolecularWeight: 573.08182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCC2=C1C=CC(=C2)NC(=O)NCC3=C(C4=C(C=CC(=C4)Cl)C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCC2=C1C=CC(=C2)NC(=O)NCC3=C(C4=C(C=CC(=C4)Cl)C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C32H33ClN4O4/c1-32(2,3)41-31(40)36-26-15-10-20-16-22(12-14-23(20)26)35-30(39)34-18-27-28(19-8-6-5-7-9-19)25-17-21(33)11-13-24(25)29(38)37(27)4/h5-9,11-14,16-17,26H,10,15,18H2,1-4H3,(H,36,40)(H2,34,35,39)