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

Systemtic Name: N-cyclopropyl-2-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N6O2/c32-23(27-21-8-9-21)18-29-11-13-30(14-12-29)25(33)22-17-31(16-19-5-2-1-3-6-19)28-24(22)20-7-4-10-26-15-20/h1-7,10,15,17,21H,8-9,11-14,16,18H2,(H,27,32)/p+1