4-(3,4-dimethylphenyl)-N-isoquinolin-5-yl-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dimethylphenyl)-N-isoquinolin-5-yl-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dimethylphenyl)-N-(5-isoquinolyl)-4-oxo-butanamide CAS Name: 4-(3,4-dimethylphenyl)-N-(5-isoquinolinyl)-4-oxobutanamide IUPAC Name: 4-(3,4-dimethylphenyl)-N-isoquinolin-5-yl-4-oxobutanamide Traditional Name: 4-(3,4-dimethylphenyl)-N-(5-isoquinolyl)-4-keto-butyramide Formula: C21H20N2O2 MolecularWeight: 332.3957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC=CC3=C2C=CN=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)NC2=CC=CC3=C2C=CN=C3)C

InChI

InChI=1S/C21H20N2O2/c1-14-6-7-16(12-15(14)2)20(24)8-9-21(25)23-19-5-3-4-17-13-22-11-10-18(17)19/h3-7,10-13H,8-9H2,1-2H3,(H,23,25)