dimethyl 3-[4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(5-hex-1-ynylnicotinoyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C22H26N4O5/c1-4-5-6-7-8-16-9-17(13-23-12-16)22(29)25-18-14-24-26(15-18)19(10-20(27)30-2)11-21(28)31-3/h9,12-15,19H,4-6,10-11H2,1-3H3,(H,25,29)