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

Systemtic Name: tert-butyl N-[[6-[(E)-3-azanyl-3-oxidanylidene-prop-1-enyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[6-[(E)-3-amino-3-oxo-prop-1-enyl]-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-[(E)-3-amino-3-oxoprop-1-enyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-[(E)-3-amino-3-oxoprop-1-enyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[6-[(E)-3-amino-3-keto-prop-1-enyl]-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C28H33N3O4 MolecularWeight: 475.57932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O4/c1-18(2)17-31-23(16-30-27(34)35-28(3,4)5)25(20-9-7-6-8-10-20)22-15-19(12-14-24(29)32)11-13-21(22)26(31)33/h6-15,18H,16-17H2,1-5H3,(H2,29,32)(H,30,34)/b14-12+