5-butyl-2-(3-carbamimidoylphenyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide

Systemtic Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide Openeye Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide CAS Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 5-butyl-2-(3-carbamimidoylphenyl)-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide Traditional Name: 2-(3-amidinophenyl)-5-butyl-N-[2-[2-(trifluoromethyl)phenyl]phenyl]pyrazole-3-carboxamide Formula: C28H26F3N5O MolecularWeight: 505.53415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3C(F)(F)F)C4=CC=CC(=C4)C(=N)N

Isomeric SMILES

CCCCC1=NN(C(=C1)C(=O)NC2=CC=CC=C2C3=CC=CC=C3C(F)(F)F)C4=CC=CC(=C4)C(=N)N

InChI

InChI=1S/C28H26F3N5O/c1-2-3-10-19-17-25(36(35-19)20-11-8-9-18(16-20)26(32)33)27(37)34-24-15-7-5-13-22(24)21-12-4-6-14-23(21)28(29,30)31/h4-9,11-17H,2-3,10H2,1H3,(H3,32,33)(H,34,37)