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

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide Formula: C20H18N8O MolecularWeight: 386.40992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC=N3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)N3C=NC=N3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C20H18N8O/c1-13-9-18(28(26-13)17-4-2-3-14(10-17)19(21)22)20(29)25-15-5-7-16(8-6-15)27-12-23-11-24-27/h2-12H,1H3,(H3,21,22)(H,25,29)