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

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazole-5-carboxamide Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-[4-[(E)-cinnamyl]piperazin-1-yl]-1-methyl-benzimidazole-5-carboxamide CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-5-benzimidazolecarboxamide IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[4-[(E)-cinnamyl]piperazino]-1-methyl-benzimidazole-5-carboxamide Formula: C31H35N7O MolecularWeight: 521.6559

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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)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)N

InChI

InChI=1S/C31H35N7O/c1-36-28-15-14-26(22-27(28)34-29(36)16-11-24-9-12-25(13-10-24)30(32)33)31(39)35-38-20-18-37(19-21-38)17-5-8-23-6-3-2-4-7-23/h2-10,12-15,22H,11,16-21H2,1H3,(H3,32,33)(H,35,39)/b8-5+