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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(C(=O)C1=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCCN(C(=O)C1=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

InChI

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