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

Systemtic Name: tert-butyl N-[[3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]phenyl]methyl]-N-methyl-carbamate Openeye Name: tert-butyl N-[[3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenyl]methyl]-N-methyl-carbamate CAS Name: N-[[3-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]phenyl]methyl]-N-methylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]phenyl]methyl]-N-methylcarbamate Traditional Name: N-[3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]benzyl]-N-methyl-carbamic acid tert-butyl ester Formula: C31H33ClN4O4 MolecularWeight: 561.07112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N(C)CC1=CC(=CC=C1)NC(=O)NCC2=C(C3=C(C=CC(=C3)Cl)C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C31H33ClN4O4/c1-31(2,3)40-30(39)35(4)19-20-10-9-13-23(16-20)34-29(38)33-18-26-27(21-11-7-6-8-12-21)25-17-22(32)14-15-24(25)28(37)36(26)5/h6-17H,18-19H2,1-5H3,(H2,33,34,38)