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

Systemtic Name: N-[[6-methanoyl-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: N-[(6-formyl-2-isobutyl-1-oxo-4-phenyl-3-isoquinolyl)methyl]carbamate CAS Name: N-[[6-formyl-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamate IUPAC Name: N-[[6-formyl-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[(6-formyl-2-isobutyl-1-keto-4-phenyl-3-isoquinolyl)methyl]carbamate Formula: C22H21N2O4- MolecularWeight: 377.41314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C=O)C3=CC=CC=C3)CNC(=O)[O-]

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)C=O)C3=CC=CC=C3)CNC(=O)[O-]

InChI

InChI=1S/C22H22N2O4/c1-14(2)12-24-19(11-23-22(27)28)20(16-6-4-3-5-7-16)18-10-15(13-25)8-9-17(18)21(24)26/h3-10,13-14,23H,11-12H2,1-2H3,(H,27,28)/p-1