N-[(4-chlorophenyl)methyl]-1-methyl-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-1-methyl-quinoline-3-carboxamide Formula: C22H19ClN2O3 MolecularWeight: 394.85086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC(=C21)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC(=C21)C#CCCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H19ClN2O3/c1-25-14-19(22(28)24-13-15-8-10-17(23)11-9-15)21(27)18-7-4-6-16(20(18)25)5-2-3-12-26/h4,6-11,14,26H,3,12-13H2,1H3,(H,24,28)