(3R)-5-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-3,4-dihydropyrazole-3-carboxamide

Systemtic Name: (3R)-5-(4-phenethylpiperazin-4-ium-1-yl)carbonyl-2-phenyl-3,4-dihydropyrazole-3-carboxamide Openeye Name: (3R)-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide CAS Name: (3R)-5-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide IUPAC Name: (3R)-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide Traditional Name: (3R)-5-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-phenyl-2-pyrazoline-3-carboxamide Formula: C23H28N5O2+ MolecularWeight: 406.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NN(C(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)C3=NN([C@H](C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2/c24-22(29)21-17-20(25-28(21)19-9-5-2-6-10-19)23(30)27-15-13-26(14-16-27)12-11-18-7-3-1-4-8-18/h1-10,21H,11-17H2,(H2,24,29)/p+1/t21-/m1/s1