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

Systemtic Name: 3-(benzotriazol-1-yl)-1-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]propan-1-one Openeye Name: 3-(benzotriazol-1-yl)-1-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1-benzotriazolyl)-1-[3-(2-methyl-5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzotriazol-1-yl)-1-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]propan-1-one Traditional Name: 3-(benzotriazol-1-yl)-1-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]piperidino]propan-1-one Formula: C24H25N7O MolecularWeight: 427.5016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CCN3C4=CC=CC=C4N=N3)C5=CC=NC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CCN3C4=CC=CC=C4N=N3)C5=CC=NC=C5

InChI

InChI=1S/C24H25N7O/c1-17-26-15-20(18-8-11-25-12-9-18)24(27-17)19-5-4-13-30(16-19)23(32)10-14-31-22-7-3-2-6-21(22)28-29-31/h2-3,6-9,11-12,15,19H,4-5,10,13-14,16H2,1H3