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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(3-oxidanylbut-1-ynyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxybut-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxybut-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxybut-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxybut-1-ynyl)-4-keto-1H-quinoline-3-carboxamide Formula: C21H17ClN2O3 MolecularWeight: 380.82428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C#CC1=CC2=C(C=C1)NC=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C21H17ClN2O3/c1-13(25)2-3-14-6-9-19-17(10-14)20(26)18(12-23-19)21(27)24-11-15-4-7-16(22)8-5-15/h4-10,12-13,25H,11H2,1H3,(H,23,26)(H,24,27)