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

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1-piperidin-1-yl-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(1-piperidyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-(1-piperidinyl)-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1-piperidin-1-ylquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-piperidino-quinoline-3-carboxamide Formula: C25H24ClN3O3 MolecularWeight: 449.92936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)N2C=C(C(=O)C3=C2C=CC(=C3)C#CCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN3O3/c26-20-9-6-19(7-10-20)16-27-25(32)22-17-29(28-12-2-1-3-13-28)23-11-8-18(5-4-14-30)15-21(23)24(22)31/h6-11,15,17,30H,1-3,12-14,16H2,(H,27,32)