1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-[2,4-bis(fluoranyl)phenyl]carbonyl-piperazin-2-one; methanoic acid

Systemtic Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-[2,4-bis(fluoranyl)phenyl]carbonyl-piperazin-2-one; methanoic acid Openeye Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(2,4-difluorobenzoyl)piperazin-2-one; formic acid CAS Name: 1-[4-[3-(1-azepanyl)propoxy]phenyl]-4-[(2,4-difluorophenyl)-oxomethyl]-2-piperazinone; formic acid IUPAC Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(2,4-difluorobenzoyl)piperazin-2-one; formic acid Traditional Name: 1-[4-[3-(azepan-1-yl)propoxy]phenyl]-4-(2,4-difluorobenzoyl)piperazin-2-one; formic acid Formula: C27H33F2N3O5 MolecularWeight: 517.564826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=C(C=C(C=C4)F)F.C(=O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=C(C=C2)N3CCN(CC3=O)C(=O)C4=C(C=C(C=C4)F)F.C(=O)O

InChI

InChI=1S/C26H31F2N3O3.CH2O2/c27-20-6-11-23(24(28)18-20)26(33)30-15-16-31(25(32)19-30)21-7-9-22(10-8-21)34-17-5-14-29-12-3-1-2-4-13-29;2-1-3/h6-11,18H,1-5,12-17,19H2;1H,(H,2,3)