3-(2,6-dimethyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)-N-methyl-propanamide

Systemtic Name: 3-(2,6-dimethyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)-N-methyl-propanamide Openeye Name: 3-(2,6-dimethyl-1-oxo-3-phenyl-4-isoquinolyl)-N-methyl-propanamide CAS Name: 3-(2,6-dimethyl-1-oxo-3-phenyl-4-isoquinolinyl)-N-methylpropanamide IUPAC Name: 3-(2,6-dimethyl-1-oxo-3-phenylisoquinolin-4-yl)-N-methylpropanamide Traditional Name: 3-(1-keto-2,6-dimethyl-3-phenyl-4-isoquinolyl)-N-methyl-propionamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C(=C2CCC(=O)NC)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C(=C2CCC(=O)NC)C3=CC=CC=C3)C

InChI

InChI=1S/C21H22N2O2/c1-14-9-10-17-18(13-14)16(11-12-19(24)22-2)20(23(3)21(17)25)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3,(H,22,24)