N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-methyl-ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O3/c1-16-9-10-17(2)21(13-16)25-23(29)15-26(4)24(30)14-22-20-8-6-5-7-19(20)11-12-27(22)18(3)28/h5-13,22H,14-15H2,1-4H3,(H,25,29)/t22-/m0/s1