3-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(benzotriazol-1-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1-benzotriazolyl)-1-[3-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzotriazol-1-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(benzotriazol-1-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]propan-1-one Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C3=CC=CC=C3N=N2)C4=NC=NC=C4C5=CC=NC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)CCN2C3=CC=CC=C3N=N2)C4=NC=NC=C4C5=CC=NC=C5

InChI

InChI=1S/C23H23N7O/c31-22(9-13-30-21-6-2-1-5-20(21)27-28-30)29-12-3-4-18(15-29)23-19(14-25-16-26-23)17-7-10-24-11-8-17/h1-2,5-8,10-11,14,16,18H,3-4,9,12-13,15H2