2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-methyl-pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-methyl-pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-methyl-pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-N-[4-(1-imidazolyl)phenyl]-5-methyl-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-N-(4-imidazol-1-ylphenyl)-5-methylpyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-N-(4-imidazol-1-ylphenyl)-5-methyl-pyrazole-3-carboxamide Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C21H19N7O/c1-14-11-19(28(26-14)18-4-2-3-15(12-18)20(22)23)21(29)25-16-5-7-17(8-6-16)27-10-9-24-13-27/h2-13H,1H3,(H3,22,23)(H,25,29)