N-[(4-tert-butylphenyl)methyl]-2-chloranyl-2-isoquinolin-5-yl-ethanamide

Systemtic Name: N-[(4-tert-butylphenyl)methyl]-2-chloranyl-2-isoquinolin-5-yl-ethanamide Openeye Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-2-(5-isoquinolyl)acetamide CAS Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[(4-tert-butylphenyl)methyl]-2-chloro-2-isoquinolin-5-ylacetamide Traditional Name: N-(4-tert-butylbenzyl)-2-chloro-2-(5-isoquinolyl)acetamide Formula: C22H23ClN2O MolecularWeight: 366.88382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C(C2=CC=CC3=C2C=CN=C3)Cl

InChI

InChI=1S/C22H23ClN2O/c1-22(2,3)17-9-7-15(8-10-17)13-25-21(26)20(23)19-6-4-5-16-14-24-12-11-18(16)19/h4-12,14,20H,13H2,1-3H3,(H,25,26)