[4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [4-[(5-hex-1-ynylpyridin-3-yl)carbonylamino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Openeye Name: [4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [4-[[(5-hex-1-ynyl-3-pyridinyl)-oxomethyl]amino]-1-pyrazolyl]methyl ester IUPAC Name: [4-[(5-hex-1-ynylpyridine-3-carbonyl)amino]pyrazol-1-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [4-[(5-hex-1-ynylnicotinoyl)amino]pyrazol-1-yl]methyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-5-6-7-8-9-16-10-17(12-22-11-16)19(26)24-18-13-23-25(14-18)15-28-20(27)21(2,3)4/h10-14H,5-7,15H2,1-4H3,(H,24,26)