2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-N-phenyl-N-(3-phenylmethoxypropyl)benzimidazole-5-carboxamide

Systemtic Name: 2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-N-phenyl-N-(3-phenylmethoxypropyl)benzimidazole-5-carboxamide Openeye Name: N-(3-benzyloxypropyl)-2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-phenyl-benzimidazole-5-carboxamide CAS Name: 2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-phenyl-N-(3-phenylmethoxypropyl)-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-carbamimidoylanilino)methyl]-1-methyl-N-phenyl-N-(3-phenylmethoxypropyl)benzimidazole-5-carboxamide Traditional Name: 2-[(4-amidinoanilino)methyl]-N-(3-benzoxypropyl)-1-methyl-N-phenyl-benzimidazole-5-carboxamide Formula: C33H34N6O2 MolecularWeight: 546.66206

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCCOCC3=CC=CC=C3)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCCOCC3=CC=CC=C3)C4=CC=CC=C4)N=C1CNC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H34N6O2/c1-38-30-18-15-26(21-29(30)37-31(38)22-36-27-16-13-25(14-17-27)32(34)35)33(40)39(28-11-6-3-7-12-28)19-8-20-41-23-24-9-4-2-5-10-24/h2-7,9-18,21,36H,8,19-20,22-23H2,1H3,(H3,34,35)