4-(benzotriazol-1-ylmethyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide

Systemtic Name: 4-(benzotriazol-1-ylmethyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide Openeye Name: 4-(benzotriazol-1-ylmethyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]benzamide CAS Name: 4-(1-benzotriazolylmethyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide IUPAC Name: 4-(benzotriazol-1-ylmethyl)-N-[6-(1,2,4-triazol-1-yl)pyridin-3-yl]benzamide Traditional Name: 4-(benzotriazol-1-ylmethyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridyl]benzamide Formula: C21H16N8O MolecularWeight: 396.40474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NC4=CN=C(C=C4)N5C=NC=N5

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=CC=C(C=C3)C(=O)NC4=CN=C(C=C4)N5C=NC=N5

InChI

InChI=1S/C21H16N8O/c30-21(25-17-9-10-20(23-11-17)29-14-22-13-24-29)16-7-5-15(6-8-16)12-28-19-4-2-1-3-18(19)26-27-28/h1-11,13-14H,12H2,(H,25,30)