2-(3-fluorophenyl)-5-[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3-fluorophenyl)-5-[4-[1-(phenylmethyl)benzimidazol-2-yl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)-2-isopropyl-pentanenitrile CAS Name: 2-(3-fluorophenyl)-5-[4-[1-(phenylmethyl)-2-benzimidazolyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(1-benzylbenzimidazol-2-yl)piperazino]-2-(3-fluorophenyl)-2-isopropyl-valeronitrile Formula: C32H36FN5 MolecularWeight: 509.660143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)(C#N)C5=CC(=CC=C5)F

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4)(C#N)C5=CC(=CC=C5)F

InChI

InChI=1S/C32H36FN5/c1-25(2)32(24-34,27-12-8-13-28(33)22-27)16-9-17-36-18-20-37(21-19-36)31-35-29-14-6-7-15-30(29)38(31)23-26-10-4-3-5-11-26/h3-8,10-15,22,25H,9,16-21,23H2,1-2H3