1-[5,5-bis(4-fluorophenyl)pent-4-enyl]-4-(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: 1-[5,5-bis(4-fluorophenyl)pent-4-enyl]-4-(phenylmethyl)piperazine-2-carboxamide Openeye Name: 4-benzyl-1-[5,5-bis(4-fluorophenyl)pent-4-enyl]piperazine-2-carboxamide CAS Name: 1-[5,5-bis(4-fluorophenyl)pent-4-enyl]-4-(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 4-benzyl-1-[5,5-bis(4-fluorophenyl)pent-4-enyl]piperazine-2-carboxamide Traditional Name: 4-benzyl-1-[5,5-bis(4-fluorophenyl)pent-4-enyl]piperazine-2-carboxamide Formula: C29H31F2N3O MolecularWeight: 475.572746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=CC=C2)C(=O)N)CCCC=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(C(CN1CC2=CC=CC=C2)C(=O)N)CCCC=C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H31F2N3O/c30-25-13-9-23(10-14-25)27(24-11-15-26(31)16-12-24)8-4-5-17-34-19-18-33(21-28(34)29(32)35)20-22-6-2-1-3-7-22/h1-3,6-16,28H,4-5,17-21H2,(H2,32,35)