[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-methoxyethylcarbamoylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-(2-methoxyethylcarbamoylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]methyl-[2-[[(2-methoxyethylamino)-oxomethyl]amino]-2-oxoethyl]-methylammonium IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl]-methylazanium Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]methyl-[2-keto-2-(2-methoxyethylcarbamoylamino)ethyl]-methyl-ammonium Formula: C23H27ClN5O3+ MolecularWeight: 456.94518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)NC(=O)NCCOC

Isomeric SMILES

C[NH+](CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)CC(=O)NC(=O)NCCOC

InChI

InChI=1S/C23H26ClN5O3/c1-28(16-21(30)26-23(31)25-12-13-32-2)14-18-15-29(20-6-4-3-5-7-20)27-22(18)17-8-10-19(24)11-9-17/h3-11,15H,12-14,16H2,1-2H3,(H2,25,26,30,31)/p+1