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

Systemtic Name: 2-(benzotriazol-1-yl)-1-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[3-(2-methyl-5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C23H23N7O MolecularWeight: 413.47502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=NC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CN3C4=CC=CC=C4N=N3)C5=CC=NC=C5

InChI

InChI=1S/C23H23N7O/c1-16-25-13-19(17-8-10-24-11-9-17)23(26-16)18-5-4-12-29(14-18)22(31)15-30-21-7-3-2-6-20(21)27-28-30/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3