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

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-hex-1-ynyl-pyridine-3-carboxamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-5-hex-1-ynyl-3-pyridinecarboxamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-hex-1-ynylpyridine-3-carboxamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-5-hex-1-ynyl-nicotinamide Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCC#CC1=CC(=CN=C1)C(=O)NC2=CN(N=C2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H21N7O/c1-2-3-4-5-8-17-11-18(13-23-12-17)22(30)25-19-14-24-28(15-19)16-29-21-10-7-6-9-20(21)26-27-29/h6-7,9-15H,2-4,16H2,1H3,(H,25,30)