1-butan-2-yl-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide

Systemtic Name: 1-butan-2-yl-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-sec-butyl-quinoline-3-carboxamide CAS Name: 1-butan-2-yl-N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-butan-2-yl-N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-sec-butyl-quinoline-3-carboxamide Formula: C24H23ClN2O3 MolecularWeight: 422.90402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClN2O3/c1-3-16(2)27-15-21(24(30)26-14-18-6-9-19(25)10-7-18)23(29)20-13-17(5-4-12-28)8-11-22(20)27/h6-11,13,15-16,28H,3,12,14H2,1-2H3,(H,26,30)