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

Systemtic Name: methyl 4-[3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate Openeye Name: methyl 4-[3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate CAS Name: 4-[[3-[3,5-dimethyl-1-[6-(1-pyrrolidinyl)-3-pyridazinyl]-4-pyrazolyl]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoate Traditional Name: 4-[3-[3,5-dimethyl-1-(6-pyrrolidinopyridazin-3-yl)pyrazol-4-yl]propanoylamino]benzoic acid methyl ester Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCC3)C)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=NN=C(C=C2)N3CCCC3)C)CCC(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H28N6O3/c1-16-20(10-13-23(31)25-19-8-6-18(7-9-19)24(32)33-3)17(2)30(28-16)22-12-11-21(26-27-22)29-14-4-5-15-29/h6-9,11-12H,4-5,10,13-15H2,1-3H3,(H,25,31)