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

Systemtic Name: 2-[[(4-carbamimidoylphenyl)amino]methyl]-1-methyl-N-(3-oxidanylpropyl)-N-phenyl-benzimidazole-5-carboxamide Openeye Name: 2-[(4-carbamimidoylanilino)methyl]-N-(3-hydroxypropyl)-1-methyl-N-phenyl-benzimidazole-5-carboxamide CAS Name: 2-[(4-carbamimidoylanilino)methyl]-N-(3-hydroxypropyl)-1-methyl-N-phenyl-5-benzimidazolecarboxamide IUPAC Name: 2-[(4-carbamimidoylanilino)methyl]-N-(3-hydroxypropyl)-1-methyl-N-phenylbenzimidazole-5-carboxamide Traditional Name: 2-[(4-amidinoanilino)methyl]-N-(3-hydroxypropyl)-1-methyl-N-phenyl-benzimidazole-5-carboxamide Formula: C26H28N6O2 MolecularWeight: 456.53952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCCO)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCCO)C3=CC=CC=C3)N=C1CNC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C26H28N6O2/c1-31-23-13-10-19(26(34)32(14-5-15-33)21-6-3-2-4-7-21)16-22(23)30-24(31)17-29-20-11-8-18(9-12-20)25(27)28/h2-4,6-13,16,29,33H,5,14-15,17H2,1H3,(H3,27,28)