2-(3-carbamimidoylphenyl)-5-methyl-N-[3-(pyridin-2-ylmethylamino)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[3-(pyridin-2-ylmethylamino)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[3-(2-pyridylmethylamino)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[3-(2-pyridinylmethylamino)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[3-(pyridin-2-ylmethylamino)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-methyl-N-[3-(2-pyridylmethylamino)phenyl]pyrazole-3-carboxamide Formula: C24H23N7O MolecularWeight: 425.48572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC(=CC=C2)NCC3=CC=CC=N3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC(=CC=C2)NCC3=CC=CC=N3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C24H23N7O/c1-16-12-22(31(30-16)21-10-4-6-17(13-21)23(25)26)24(32)29-19-9-5-8-18(14-19)28-15-20-7-2-3-11-27-20/h2-14,28H,15H2,1H3,(H3,25,26)(H,29,32)