N-[(1-butan-2-ylisoquinolin-5-yl)methyl]-2,2-bis(chloranyl)ethanamide

Systemtic Name: N-[(1-butan-2-ylisoquinolin-5-yl)methyl]-2,2-bis(chloranyl)ethanamide Openeye Name: 2,2-dichloro-N-[(1-sec-butyl-5-isoquinolyl)methyl]acetamide CAS Name: N-[(1-butan-2-yl-5-isoquinolinyl)methyl]-2,2-dichloroacetamide IUPAC Name: N-[(1-butan-2-ylisoquinolin-5-yl)methyl]-2,2-dichloroacetamide Traditional Name: 2,2-dichloro-N-[(1-sec-butyl-5-isoquinolyl)methyl]acetamide Formula: C16H18Cl2N2O MolecularWeight: 325.23292

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=NC=CC2=C1C=CC=C2CNC(=O)C(Cl)Cl

Isomeric SMILES

CCC(C)C1=NC=CC2=C1C=CC=C2CNC(=O)C(Cl)Cl

InChI

InChI=1S/C16H18Cl2N2O/c1-3-10(2)14-13-6-4-5-11(12(13)7-8-19-14)9-20-16(21)15(17)18/h4-8,10,15H,3,9H2,1-2H3,(H,20,21)