N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide

Systemtic Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide Openeye Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide CAS Name: N-[1-[(3-cyanophenyl)methyl]-4-pyrazolyl]-5-hex-1-ynyl-3-pyridinecarboxamide IUPAC Name: N-[1-[(3-cyanophenyl)methyl]pyrazol-4-yl]-5-hex-1-ynylpyridine-3-carboxamide Traditional Name: N-[1-(3-cyanobenzyl)pyrazol-4-yl]-5-hex-1-ynyl-nicotinamide Formula: C23H21N5O MolecularWeight: 383.44574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C23H21N5O/c1-2-3-4-5-7-19-11-21(14-25-13-19)23(29)27-22-15-26-28(17-22)16-20-9-6-8-18(10-20)12-24/h6,8-11,13-15,17H,2-4,16H2,1H3,(H,27,29)