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

Systemtic Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(1-pyrrolidinylmethyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-(3-carbamimidoylphenyl)-5-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-methyl-N-[4-(pyrrolidinomethyl)phenyl]pyrazole-3-carboxamide Formula: C23H26N6O MolecularWeight: 402.49214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)CN3CCCC3)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)CN3CCCC3)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C23H26N6O/c1-16-13-21(29(27-16)20-6-4-5-18(14-20)22(24)25)23(30)26-19-9-7-17(8-10-19)15-28-11-2-3-12-28/h4-10,13-14H,2-3,11-12,15H2,1H3,(H3,24,25)(H,26,30)