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

Systemtic Name: 1-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]carbonyl-1,4-diazepan-5-one Openeye Name: 1-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazole-3-carbonyl]-1,4-diazepan-5-one CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazole-3-carbonyl]-1,4-diazepan-5-one Traditional Name: 1-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazole-3-carbonyl]-1,4-diazepan-5-one Formula: C20H20N6O3 MolecularWeight: 392.4112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCC(=O)NCC3)C4=CC=CC=N4

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)C(=O)N3CCC(=O)NCC3)C4=CC=CC=N4

InChI

InChI=1S/C20H20N6O3/c1-29-19-6-5-14(13-23-19)26-17(15-4-2-3-8-21-15)12-16(24-26)20(28)25-10-7-18(27)22-9-11-25/h2-6,8,12-13H,7,9-11H2,1H3,(H,22,27)