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

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-methyl-1-imidazolyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3C)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=CN=C3C)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C22H21N7O/c1-14-12-20(29(27-14)19-5-3-4-16(13-19)21(23)24)22(30)26-17-6-8-18(9-7-17)28-11-10-25-15(28)2/h3-13H,1-2H3,(H3,23,24)(H,26,30)