8-iodanyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-1-prop-2-ynyl-quinoline-3-carboxamide

Systemtic Name: 8-iodanyl-N-[(4-methylphenyl)methyl]-4-oxidanylidene-1-prop-2-ynyl-quinoline-3-carboxamide Openeye Name: 8-iodo-4-oxo-1-prop-2-ynyl-N-(p-tolylmethyl)quinoline-3-carboxamide CAS Name: 8-iodo-N-[(4-methylphenyl)methyl]-4-oxo-1-prop-2-ynyl-3-quinolinecarboxamide IUPAC Name: 8-iodo-N-[(4-methylphenyl)methyl]-4-oxo-1-prop-2-ynylquinoline-3-carboxamide Traditional Name: 8-iodo-4-keto-N-(4-methylbenzyl)-1-propargyl-quinoline-3-carboxamide Formula: C21H17IN2O2 MolecularWeight: 456.27635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CN(C3=C(C2=O)C=CC=C3I)CC#C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CN(C3=C(C2=O)C=CC=C3I)CC#C

InChI

InChI=1S/C21H17IN2O2/c1-3-11-24-13-17(20(25)16-5-4-6-18(22)19(16)24)21(26)23-12-15-9-7-14(2)8-10-15/h1,4-10,13H,11-12H2,2H3,(H,23,26)