tert-butyl 4-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenoxy]azepane-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenoxy]azepane-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenoxy]azepane-1-carboxylate CAS Name: 4-[4-(2-methyl-4-oxo-3-quinazolinyl)phenoxy]-1-azepanecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]azepane-1-carboxylate Traditional Name: 4-[4-(4-keto-2-methyl-quinazolin-3-yl)phenoxy]azepane-1-carboxylic acid tert-butyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4CCCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4CCCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H31N3O4/c1-18-27-23-10-6-5-9-22(23)24(30)29(18)19-11-13-21(14-12-19)32-20-8-7-16-28(17-15-20)25(31)33-26(2,3)4/h5-6,9-14,20H,7-8,15-17H2,1-4H3