6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxamide

Systemtic Name: 6-ethoxy-2-methyl-4-oxidanylidene-1-(phenylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxamide Openeye Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxamide CAS Name: 6-ethoxy-2-methyl-4-oxo-1-(phenylmethyl)-5-[2-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-3-quinolinecarboxamide IUPAC Name: 1-benzyl-6-ethoxy-2-methyl-4-oxo-5-[2-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-3-carboxamide Traditional Name: 1-benzyl-6-ethoxy-4-keto-2-methyl-5-[2-[3-(trifluoromethyl)phenyl]piperazino]quinoline-3-carboxamide Formula: C31H31F3N4O3 MolecularWeight: 564.59805

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCNCC4C5=CC(=CC=C5)C(F)(F)F

Isomeric SMILES

CCOC1=C(C2=C(C=C1)N(C(=C(C2=O)C(=O)N)C)CC3=CC=CC=C3)N4CCNCC4C5=CC(=CC=C5)C(F)(F)F

InChI

InChI=1S/C31H31F3N4O3/c1-3-41-25-13-12-23-27(29(39)26(30(35)40)19(2)38(23)18-20-8-5-4-6-9-20)28(25)37-15-14-36-17-24(37)21-10-7-11-22(16-21)31(32,33)34/h4-13,16,24,36H,3,14-15,17-18H2,1-2H3,(H2,35,40)