N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)-3-pyridinecarboxamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)ethyl]-2-(6-carbamimidoyl-1H-benzimidazol-2-yl)pyridine-3-carboxamide Traditional Name: 2-(6-amidino-1H-benzimidazol-2-yl)-N-[2-(3-bromo-4-methoxy-phenyl)ethyl]nicotinamide Formula: C23H21BrN6O2 MolecularWeight: 493.35584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=C(N=CC=C2)C3=NC4=C(N3)C=C(C=C4)C(=N)N)Br

InChI

InChI=1S/C23H21BrN6O2/c1-32-19-7-4-13(11-16(19)24)8-10-28-23(31)15-3-2-9-27-20(15)22-29-17-6-5-14(21(25)26)12-18(17)30-22/h2-7,9,11-12H,8,10H2,1H3,(H3,25,26)(H,28,31)(H,29,30)