5,5-bis(4-fluorophenyl)-1-pent-4-enyl-piperazine-2-carboxamide hydrate

Systemtic Name: 5,5-bis(4-fluorophenyl)-1-pent-4-enyl-piperazine-2-carboxamide hydrate Openeye Name: 5,5-bis(4-fluorophenyl)-1-pent-4-enyl-piperazine-2-carboxamide hydrate CAS Name: 5,5-bis(4-fluorophenyl)-1-pent-4-enyl-2-piperazinecarboxamide hydrate IUPAC Name: 5,5-bis(4-fluorophenyl)-1-pent-4-enylpiperazine-2-carboxamide hydrate Traditional Name: 5,5-bis(4-fluorophenyl)-1-pent-4-enyl-piperazine-2-carboxamide hydrate Formula: C22H27F2N3O2 MolecularWeight: 403.465486

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCN1CC(NCC1C(=O)N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.O

Isomeric SMILES

C=CCCCN1CC(NCC1C(=O)N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.O

InChI

InChI=1S/C22H25F2N3O.H2O/c1-2-3-4-13-27-15-22(26-14-20(27)21(25)28,16-5-9-18(23)10-6-16)17-7-11-19(24)12-8-17;/h2,5-12,20,26H,1,3-4,13-15H2,(H2,25,28);1H2