[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O4/c1-22-17(21-16-9-5-4-8-15(16)20(22)26)10-11-19(25)27-14-18(24)23-12-6-2-3-7-13-23/h4-5,8-9H,2-3,6-7,10-14H2,1H3