1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-iodanyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-iodanyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-iodo-4-oxo-quinoline-3-carboxamide CAS Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-iodo-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-iodo-4-oxoquinoline-3-carboxamide Traditional Name: 1-tert-butyl-N-(4-chlorobenzyl)-6-iodo-4-keto-quinoline-3-carboxamide Formula: C21H20ClIN2O2 MolecularWeight: 494.75317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=C1C=CC(=C2)I)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=C1C=CC(=C2)I)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClIN2O2/c1-21(2,3)25-12-17(19(26)16-10-15(23)8-9-18(16)25)20(27)24-11-13-4-6-14(22)7-5-13/h4-10,12H,11H2,1-3H3,(H,24,27)