4-[2-[1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide

Systemtic Name: 4-[2-[1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]carbonyl-benzimidazol-2-yl]ethyl]benzenecarboximidamide Openeye Name: 4-[2-[5-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine CAS Name: 4-[2-[1-methyl-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]methyl]-2-benzimidazolyl]ethyl]benzenecarboximidamide IUPAC Name: 4-[2-[1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]benzimidazol-2-yl]ethyl]benzenecarboximidamide Traditional Name: 4-[2-[5-[4-[(E)-cinnamyl]piperazine-1-carbonyl]-1-methyl-benzimidazol-2-yl]ethyl]benzamidine Formula: C31H34N6O MolecularWeight: 506.64126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H34N6O/c1-35-28-15-14-26(22-27(28)34-29(35)16-11-24-9-12-25(13-10-24)30(32)33)31(38)37-20-18-36(19-21-37)17-5-8-23-6-3-2-4-7-23/h2-10,12-15,22H,11,16-21H2,1H3,(H3,32,33)/b8-5+