4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one

Systemtic Name: 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Openeye Name: 4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one CAS Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-1-methyl-1,4-diazepan-5-one IUPAC Name: 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Traditional Name: 4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1-methyl-1,4-diazepan-5-one Formula: C20H22N6O2 MolecularWeight: 378.42768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C20H22N6O2/c1-24-10-8-20(27)25(12-11-24)18-13-17(16-5-3-4-9-21-16)26(23-18)15-6-7-19(28-2)22-14-15/h3-7,9,13-14H,8,10-12H2,1-2H3