N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide

Systemtic Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide Openeye Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide CAS Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-pyrazolyl]-5-hex-1-ynyl-3-pyridinecarboxamide IUPAC Name: N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-5-hex-1-ynylpyridine-3-carboxamide Traditional Name: 5-hex-1-ynyl-N-(1-homoveratrylpyrazol-4-yl)nicotinamide Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C25H28N4O3/c1-4-5-6-7-8-20-13-21(16-26-15-20)25(30)28-22-17-27-29(18-22)12-11-19-9-10-23(31-2)24(14-19)32-3/h9-10,13-18H,4-6,11-12H2,1-3H3,(H,28,30)