1-tert-butyl-N-[(4-chlorophenyl)methyl]-2-iodanyl-6-oxidanyl-4-oxidanylidene-3-prop-1-ynyl-2H-quinoline-3-carboxamide

Systemtic Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-2-iodanyl-6-oxidanyl-4-oxidanylidene-3-prop-1-ynyl-2H-quinoline-3-carboxamide Openeye Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-2-iodo-4-oxo-3-prop-1-ynyl-2H-quinoline-3-carboxamide CAS Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-2-iodo-4-oxo-3-prop-1-ynyl-2H-quinoline-3-carboxamide IUPAC Name: 1-tert-butyl-N-[(4-chlorophenyl)methyl]-6-hydroxy-2-iodo-4-oxo-3-prop-1-ynyl-2H-quinoline-3-carboxamide Traditional Name: 1-tert-butyl-N-(4-chlorobenzyl)-6-hydroxy-2-iodo-4-keto-3-prop-1-ynyl-2H-quinoline-3-carboxamide Formula: C24H24ClIN2O3 MolecularWeight: 550.81643

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(C(N(C2=C(C1=O)C=C(C=C2)O)C(C)(C)C)I)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CC#CC1(C(N(C2=C(C1=O)C=C(C=C2)O)C(C)(C)C)I)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C24H24ClIN2O3/c1-5-12-24(22(31)27-14-15-6-8-16(25)9-7-15)20(30)18-13-17(29)10-11-19(18)28(21(24)26)23(2,3)4/h6-11,13,21,29H,14H2,1-4H3,(H,27,31)