tert-butyl 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-yl-pyrazol-3-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[1-(6-methoxy-3-pyridinyl)-5-(2-pyridinyl)-3-pyrazolyl]-5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(6-methoxypyridin-3-yl)-5-pyridin-2-ylpyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 5-keto-4-[1-(6-methoxy-3-pyridyl)-5-(2-pyridyl)pyrazol-3-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C24H28N6O4 MolecularWeight: 464.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=NN(C(=C2)C3=CC=CC=N3)C4=CN=C(C=C4)OC

InChI

InChI=1S/C24H28N6O4/c1-24(2,3)34-23(32)28-12-10-22(31)29(14-13-28)20-15-19(18-7-5-6-11-25-18)30(27-20)17-8-9-21(33-4)26-16-17/h5-9,11,15-16H,10,12-14H2,1-4H3