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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-(dimethylamino)-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(dimethylamino)-6-(3-hydroxyprop-1-ynyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(dimethylamino)-6-(3-hydroxyprop-1-ynyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(dimethylamino)-6-(3-hydroxyprop-1-ynyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(dimethylamino)-6-(3-hydroxyprop-1-ynyl)-4-keto-quinoline-3-carboxamide Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)N1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(C)N1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN3O3/c1-25(2)26-14-19(22(29)24-13-16-5-8-17(23)9-6-16)21(28)18-12-15(4-3-11-27)7-10-20(18)26/h5-10,12,14,27H,11,13H2,1-2H3,(H,24,29)