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

Systemtic Name: 1-(1-bromoethyl)-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: 1-(1-bromoethyl)-N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-(1-bromoethyl)-N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-(1-bromoethyl)-N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-(1-bromoethyl)-N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-quinoline-3-carboxamide Formula: C22H18BrClN2O3 MolecularWeight: 473.74692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrClN2O3/c1-14(23)26-13-19(22(29)25-12-16-4-7-17(24)8-5-16)21(28)18-11-15(3-2-10-27)6-9-20(18)26/h4-9,11,13-14,27H,10,12H2,1H3,(H,25,29)