methyl 4-[3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate

Systemtic Name: methyl 4-[3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[3,5-dimethyl-1-[6-(1-piperidyl)pyridazin-3-yl]pyrazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[3,5-dimethyl-1-(6-piperidinopyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C25H30N6O3 MolecularWeight: 462.5441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCCC3)C)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H30N6O3/c1-17-21(11-14-24(32)26-20-9-7-19(8-10-20)25(33)34-3)18(2)31(29-17)23-13-12-22(27-28-23)30-15-5-4-6-16-30/h7-10,12-13H,4-6,11,14-16H2,1-3H3,(H,26,32)