2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[3-[(2S)-butan-2-yl]-1-chloranyl-isoquinolin-4-yl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[3-[(2S)-butan-2-yl]-1-chloro-4-isoquinolinyl]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[3-[(2S)-butan-2-yl]-1-chloroisoquinolin-4-yl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[1-chloro-3-[(1S)-1-methylpropyl]-4-isoquinolyl]acetamide Formula: C23H23ClN2O2 MolecularWeight: 394.89392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC[C@H](C)C1=C(C2=CC=CC=C2C(=N1)Cl)CC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H23ClN2O2/c1-4-14(2)22-20(18-10-5-6-11-19(18)23(24)26-22)13-21(28)25-17-9-7-8-16(12-17)15(3)27/h5-12,14H,4,13H2,1-3H3,(H,25,28)/t14-/m0/s1