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

Systemtic Name: 1-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]carbonyl-4-methyl-1,4-diazepan-5-one Openeye Name: 1-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazole-3-carbonyl]-4-methyl-1,4-diazepan-5-one CAS Name: 1-[[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-oxomethyl]-4-methyl-1,4-diazepan-5-one IUPAC Name: 1-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazole-3-carbonyl]-4-methyl-1,4-diazepan-5-one Traditional Name: 1-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazole-3-carbonyl]-4-methyl-1,4-diazepan-5-one Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCC1=O)C(=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

Isomeric SMILES

CN1CCN(CCC1=O)C(=O)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C21H22N6O3/c1-25-11-12-26(10-8-20(25)28)21(29)17-13-18(16-5-3-4-9-22-16)27(24-17)15-6-7-19(30-2)23-14-15/h3-7,9,13-14H,8,10-12H2,1-2H3