2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazole-5-carboxamide Openeye Name: N-[4-[(E)-cinnamyl]piperazin-1-yl]-2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-5-benzimidazolecarboxamide IUPAC Name: 2-[2-(4-cyanophenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazole-5-carboxamide Traditional Name: N-[4-[(E)-cinnamyl]piperazino]-2-[2-(4-cyanophenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide Formula: C31H32N6O MolecularWeight: 504.62538

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NN3CCN(CC3)CC=CC4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NN3CCN(CC3)C/C=C/C4=CC=CC=C4)N=C1CCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C31H32N6O/c1-35-29-15-14-27(22-28(29)33-30(35)16-13-25-9-11-26(23-32)12-10-25)31(38)34-37-20-18-36(19-21-37)17-5-8-24-6-3-2-4-7-24/h2-12,14-15,22H,13,16-21H2,1H3,(H,34,38)/b8-5+