N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-methyl-pyrazole-3-carboxamide Openeye Name: N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: N-[4-(1-benzimidazolyl)phenyl]-2-(3-carbamimidoylphenyl)-5-methyl-3-pyrazolecarboxamide IUPAC Name: N-[4-(benzimidazol-1-yl)phenyl]-2-(3-carbamimidoylphenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-[4-(benzimidazol-1-yl)phenyl]-5-methyl-pyrazole-3-carboxamide Formula: C25H21N7O MolecularWeight: 435.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC4=CC=CC=C43)C5=CC=CC(=C5)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC4=CC=CC=C43)C5=CC=CC(=C5)C(=N)N

InChI

InChI=1S/C25H21N7O/c1-16-13-23(32(30-16)20-6-4-5-17(14-20)24(26)27)25(33)29-18-9-11-19(12-10-18)31-15-28-21-7-2-3-8-22(21)31/h2-15H,1H3,(H3,26,27)(H,29,33)