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

Systemtic Name: tert-butyl 4-[2-(6-methoxypyridin-3-yl)-1-phenyl-imidazol-4-yl]-5-oxidanylidene-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazol-4-yl]-5-oxo-1,4-diazepane-1-carboxylate CAS Name: 4-[2-(6-methoxy-3-pyridinyl)-1-phenyl-4-imidazolyl]-5-oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-methoxypyridin-3-yl)-1-phenylimidazol-4-yl]-5-oxo-1,4-diazepane-1-carboxylate Traditional Name: 5-keto-4-[2-(6-methoxy-3-pyridyl)-1-phenyl-imidazol-4-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(=O)N(CC1)C2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O4/c1-25(2,3)34-24(32)28-13-12-22(31)29(15-14-28)20-17-30(19-8-6-5-7-9-19)23(27-20)18-10-11-21(33-4)26-16-18/h5-11,16-17H,12-15H2,1-4H3