N-(phenylmethyl)-2-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(phenylmethyl)-2-[4-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[oxo-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[1-phenyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C28H29N6O2+ MolecularWeight: 481.56886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC=CC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N6O2/c35-26(30-18-22-8-3-1-4-9-22)21-32-14-16-33(17-15-32)28(36)25-20-34(24-11-5-2-6-12-24)31-27(25)23-10-7-13-29-19-23/h1-13,19-20H,14-18,21H2,(H,30,35)/p+1