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4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate

4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate

Systemtic Name:4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate
Openeye Name:4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate
CAS Name:4-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide hydrate
IUPAC Name:4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate
Traditional Name:4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide hydrate
Formula: C22H29F2N3O2
MolecularWeight: 405.481366
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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)C(=O)N)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.O


Isomeric SMILES

C1CN(CC(N1)C(=O)N)CCCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.O


InChI

InChI=1S/C22H27F2N3O.H2O/c23-18-8-4-16(5-9-18)20(17-6-10-19(24)11-7-17)3-1-2-13-27-14-12-26-21(15-27)22(25)28;/h4-11,20-21,26H,1-3,12-15H2,(H2,25,28);1H2


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