N-[3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-2-methyl-phenyl]propanamide

Systemtic Name: N-[3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoylamino]-2-methyl-phenyl]propanamide Openeye Name: N-[3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methyl-phenyl]propanamide CAS Name: N-[3-[[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]amino]-2-methylphenyl]propanamide IUPAC Name: N-[3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methylphenyl]propanamide Traditional Name: N-[3-[[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]amino]-2-methyl-phenyl]propionamide Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=CC(=C1C)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

Isomeric SMILES

CCC(=O)NC1=CC=CC(=C1C)NC(=O)CC2C3=CC=CC=C3C=CN2C(=O)C

InChI

InChI=1S/C23H25N3O3/c1-4-22(28)24-19-10-7-11-20(15(19)2)25-23(29)14-21-18-9-6-5-8-17(18)12-13-26(21)16(3)27/h5-13,21H,4,14H2,1-3H3,(H,24,28)(H,25,29)