2-[2-(4-carbamimidoylphenyl)ethyl]-N-cyclohexyl-1-methyl-N-[2-[(phenylmethyl)amino]ethyl]benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-cyclohexyl-1-methyl-N-[2-[(phenylmethyl)amino]ethyl]benzimidazole-5-carboxamide Openeye Name: N-[2-(benzylamino)ethyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-N-cyclohexyl-1-methyl-benzimidazole-5-carboxamide CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N-cyclohexyl-1-methyl-N-[2-[(phenylmethyl)amino]ethyl]-5-benzimidazolecarboxamide IUPAC Name: N-[2-(benzylamino)ethyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-N-cyclohexyl-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[2-(benzylamino)ethyl]-N-cyclohexyl-1-methyl-benzimidazole-5-carboxamide Formula: C33H40N6O MolecularWeight: 536.7103

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCNCC3=CC=CC=C3)C4CCCCC4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCNCC3=CC=CC=C3)C4CCCCC4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H40N6O/c1-38-30-18-17-27(22-29(30)37-31(38)19-14-24-12-15-26(16-13-24)32(34)35)33(40)39(28-10-6-3-7-11-28)21-20-36-23-25-8-4-2-5-9-25/h2,4-5,8-9,12-13,15-18,22,28,36H,3,6-7,10-11,14,19-21,23H2,1H3,(H3,34,35)