N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(pyridin-3-ylamino)ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(pyridin-3-ylamino)ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(3-pyridylamino)acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-N-methyl-2-(3-pyridinylamino)acetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-N-methyl-2-(pyridin-3-ylamino)acetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-N-methyl-2-(3-pyridylamino)acetamide Formula: C25H27N7O MolecularWeight: 441.52818

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(C)C(=O)CNC3=CN=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(C)C(=O)CNC3=CN=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H27N7O/c1-31(24(33)16-29-19-4-3-13-28-15-19)20-10-11-22-21(14-20)30-23(32(22)2)12-7-17-5-8-18(9-6-17)25(26)27/h3-6,8-11,13-15,29H,7,12,16H2,1-2H3,(H3,26,27)