N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[3-(4-methoxyphenyl)-1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: N,N-diethyl-2-[4-[[3-(4-methoxyphenyl)-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C28H36N5O3+ MolecularWeight: 490.61714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=C(C=C3)OC)CC4=CC=CC=C4

InChI

InChI=1S/C28H35N5O3/c1-4-31(5-2)26(34)21-30-15-17-32(18-16-30)28(35)25-20-33(19-22-9-7-6-8-10-22)29-27(25)23-11-13-24(36-3)14-12-23/h6-14,20H,4-5,15-19,21H2,1-3H3/p+1