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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-propan-2-yl-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-isopropyl-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-propan-2-yl-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-1-isopropyl-4-keto-quinoline-3-carboxamide Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3/c1-15(2)26-14-20(23(29)25-13-17-5-8-18(24)9-6-17)22(28)19-12-16(4-3-11-27)7-10-21(19)26/h5-10,12,14-15,27H,11,13H2,1-2H3,(H,25,29)