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

Systemtic Name: tert-butyl 4-[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)pyrazol-3-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)pyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)pyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 4-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)pyrazol-3-yl]-5-keto-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H28FN5O4 MolecularWeight: 481.519323

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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=C(C=C3)F)C4=CN=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN5O4/c1-25(2,3)35-24(33)29-12-11-23(32)30(14-13-29)21-15-20(17-5-7-18(26)8-6-17)31(28-21)19-9-10-22(34-4)27-16-19/h5-10,15-16H,11-14H2,1-4H3