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

Systemtic Name: tert-butyl N-[[6-[(2-methylpropanoylamino)methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-isobutyl-6-[(2-methylpropanoylamino)methyl]-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-[[(2-methyl-1-oxopropyl)amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-[(2-methylpropanoylamino)methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[2-isobutyl-6-[(isobutyrylamino)methyl]-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C30H39N3O4 MolecularWeight: 505.64836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CNC(=O)C(C)C)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CNC(=O)C(C)C)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C30H39N3O4/c1-19(2)18-33-25(17-32-29(36)37-30(5,6)7)26(22-11-9-8-10-12-22)24-15-21(13-14-23(24)28(33)35)16-31-27(34)20(3)4/h8-15,19-20H,16-18H2,1-7H3,(H,31,34)(H,32,36)