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

Systemtic Name: tert-butyl N-[[3-[(6-chloranyl-2-methyl-1-oxidanylidene-4-phenyl-isoquinolin-3-yl)methylcarbamoylamino]phenyl]methyl]-N-ethyl-carbamate Openeye Name: tert-butyl N-[[3-[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolyl)methylcarbamoylamino]phenyl]methyl]-N-ethyl-carbamate CAS Name: N-[[3-[[[(6-chloro-2-methyl-1-oxo-4-phenyl-3-isoquinolinyl)methylamino]-oxomethyl]amino]phenyl]methyl]-N-ethylcarbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[(6-chloro-2-methyl-1-oxo-4-phenylisoquinolin-3-yl)methylcarbamoylamino]phenyl]methyl]-N-ethylcarbamate Traditional Name: N-[3-[(6-chloro-1-keto-2-methyl-4-phenyl-3-isoquinolyl)methylcarbamoylamino]benzyl]-N-ethyl-carbamic acid tert-butyl ester Formula: C32H35ClN4O4 MolecularWeight: 575.0977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35ClN4O4/c1-6-37(31(40)41-32(2,3)4)20-21-11-10-14-24(17-21)35-30(39)34-19-27-28(22-12-8-7-9-13-22)26-18-23(33)15-16-25(26)29(38)36(27)5/h7-18H,6,19-20H2,1-5H3,(H2,34,35,39)