2-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[3-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C22H21N7O MolecularWeight: 399.44844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=N2)C4=NC=NC=C4C5=CC=NC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)CN2C3=CC=CC=C3N=N2)C4=NC=NC=C4C5=CC=NC=C5

InChI

InChI=1S/C22H21N7O/c30-21(14-29-20-6-2-1-5-19(20)26-27-29)28-11-3-4-17(13-28)22-18(12-24-15-25-22)16-7-9-23-10-8-16/h1-2,5-10,12,15,17H,3-4,11,13-14H2