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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25F2N3O.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;/h3-11,21,26H,1-2,12-15H2,(H2,25,28);1H2