7-[4-[4-[3-chloranyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one; propanedioic acid

Systemtic Name: 7-[4-[4-[3-chloranyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one; propanedioic acid Openeye Name: 7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one; malonic acid CAS Name: 7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]-1-piperazinyl]butoxy]-1H-1,8-naphthyridin-2-one; propanedioic acid IUPAC Name: 7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one; propanedioic acid Traditional Name: 7-[4-[4-[3-chloro-2-(trifluoromethyl)phenyl]piperazino]butoxy]-1H-1,8-naphthyridin-2-one; malonic acid Formula: C26H28ClF3N4O6 MolecularWeight: 584.97193

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCOC2=NC3=C(C=CC(=O)N3)C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F.C(C(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCCOC2=NC3=C(C=CC(=O)N3)C=C2)C4=C(C(=CC=C4)Cl)C(F)(F)F.C(C(=O)O)C(=O)O

InChI

InChI=1S/C23H24ClF3N4O2.C3H4O4/c24-17-4-3-5-18(21(17)23(25,26)27)31-13-11-30(12-14-31)10-1-2-15-33-20-9-7-16-6-8-19(32)28-22(16)29-20;4-2(5)1-3(6)7/h3-9H,1-2,10-15H2,(H,28,29,32);1H2,(H,4,5)(H,6,7)