N-(3,4-dimethylphenyl)-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethylphenyl)-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3,4-dimethylphenyl)acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3,4-dimethylphenyl)acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3,4-dimethylphenyl)acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(3,4-dimethylphenyl)acetamide Formula: C21H22N2O2 MolecularWeight: 334.41158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[C@H]2C3=CC=CC=C3C=CN2C(=O)C)C

InChI

InChI=1S/C21H22N2O2/c1-14-8-9-18(12-15(14)2)22-21(25)13-20-19-7-5-4-6-17(19)10-11-23(20)16(3)24/h4-12,20H,13H2,1-3H3,(H,22,25)/t20-/m0/s1