4-[2-[1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[6-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-methyl-benzimidazol-2-yl]ethyl]benzonitrile CAS Name: 4-[2-[1-methyl-6-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-benzimidazolyl]ethyl]benzonitrile IUPAC Name: 4-[2-[1-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzimidazol-2-yl]ethyl]benzonitrile Traditional Name: 4-[2-[6-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-methyl-benzimidazol-2-yl]ethyl]benzonitrile Formula: C31H31N5O MolecularWeight: 489.61074

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H31N5O/c1-34-29-22-27(14-15-28(29)33-30(34)16-13-25-9-11-26(23-32)12-10-25)31(37)36-20-18-35(19-21-36)17-5-8-24-6-3-2-4-7-24/h2-12,14-15,22H,13,16-21H2,1H3/b8-5+