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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCN1C=C(C(=O)C2=C1C=CC(=C2)C#CCO)C(=O)NCC3=CC=C(C=C3)Cl

InChI

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