4-(4-fluorophenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one; methanoic acid

Systemtic Name: 4-(4-fluorophenyl)carbonyl-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one; methanoic acid Openeye Name: 4-(4-fluorobenzoyl)-1-[4-[3-(1-piperidyl)propoxy]phenyl]piperazin-2-one; formic acid CAS Name: 4-[(4-fluorophenyl)-oxomethyl]-1-[4-[3-(1-piperidinyl)propoxy]phenyl]-2-piperazinone; formic acid IUPAC Name: 4-(4-fluorobenzoyl)-1-[4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-2-one; formic acid Traditional Name: 4-(4-fluorobenzoyl)-1-[4-(3-piperidinopropoxy)phenyl]piperazin-2-one; formic acid Formula: C26H32FN3O5 MolecularWeight: 485.547783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)F.C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=CC=C(C=C4)F.C(=O)O

InChI

InChI=1S/C25H30FN3O3.CH2O2/c26-21-7-5-20(6-8-21)25(31)28-16-17-29(24(30)19-28)22-9-11-23(12-10-22)32-18-4-15-27-13-2-1-3-14-27;2-1-3/h5-12H,1-4,13-19H2;1H,(H,2,3)