N-[(4-chlorophenyl)methyl]-8-methoxy-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-methoxy-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-8-methoxy-1H-quinoline-3-carboxamide Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C#CCO

Isomeric SMILES

COC1=CC(=CC2=C1NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C#CCO

InChI

InChI=1S/C21H17ClN2O4/c1-28-18-10-14(3-2-8-25)9-16-19(18)23-12-17(20(16)26)21(27)24-11-13-4-6-15(22)7-5-13/h4-7,9-10,12,25H,8,11H2,1H3,(H,23,26)(H,24,27)