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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(C(=O)C1)C2=CN(C(=N2)C3=CN=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(C(=O)C1)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)28-13-8-14-29(22(31)17-28)20-16-30(19-9-6-5-7-10-19)23(27-20)18-11-12-21(33-4)26-15-18/h5-7,9-12,15-16H,8,13-14,17H2,1-4H3