1-(2-chlorophenyl)-N-(1-iodanylbutan-2-yl)-N-methyl-isoquinoline-3-carboxamide

Systemtic Name: 1-(2-chlorophenyl)-N-(1-iodanylbutan-2-yl)-N-methyl-isoquinoline-3-carboxamide Openeye Name: 1-(2-chlorophenyl)-N-[1-(iodomethyl)propyl]-N-methyl-isoquinoline-3-carboxamide CAS Name: 1-(2-chlorophenyl)-N-(1-iodobutan-2-yl)-N-methyl-3-isoquinolinecarboxamide IUPAC Name: 1-(2-chlorophenyl)-N-(1-iodobutan-2-yl)-N-methylisoquinoline-3-carboxamide Traditional Name: 1-(2-chlorophenyl)-N-[1-(iodomethyl)propyl]-N-methyl-isoquinoline-3-carboxamide Formula: C21H20ClIN2O MolecularWeight: 478.75377

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CI)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(CI)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H20ClIN2O/c1-3-15(13-23)25(2)21(26)19-12-14-8-4-5-9-16(14)20(24-19)17-10-6-7-11-18(17)22/h4-12,15H,3,13H2,1-2H3