N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]hex-2-ynamide

Systemtic Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]hex-2-ynamide Openeye Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]hex-2-ynamide CAS Name: N-[1-(1-benzotriazolylmethyl)-4-pyrazolyl]-2-hexynamide IUPAC Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]hex-2-ynamide Traditional Name: N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]hex-2-ynamide Formula: C16H16N6O MolecularWeight: 308.33784

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CC(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC#CC(=O)NC1=CN(N=C1)CN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C16H16N6O/c1-2-3-4-9-16(23)18-13-10-17-21(11-13)12-22-15-8-6-5-7-14(15)19-20-22/h5-8,10-11H,2-3,12H2,1H3,(H,18,23)