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

Systemtic Name: 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-1-methyl-1,4-diazepane-2,5-dione Openeye Name: 4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1-methyl-1,4-diazepane-2,5-dione CAS Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-1-methyl-1,4-diazepane-2,5-dione IUPAC Name: 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-1-methyl-1,4-diazepane-2,5-dione Traditional Name: 4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1-methyl-1,4-diazepane-2,5-quinone Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6O3/c1-24-10-8-19(27)25(13-20(24)28)17-11-16(15-5-3-4-9-21-15)26(23-17)14-6-7-18(29-2)22-12-14/h3-7,9,11-12H,8,10,13H2,1-2H3