(5-methoxycarbonylfuran-2-yl)methyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)methyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-yl)methyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid (5-carbomethoxy-2-furyl)methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C21H20N2O6/c1-27-21(26)17-9-7-14(29-17)12-28-20(25)13-6-8-15-16(11-13)22-18-5-3-2-4-10-23(18)19(15)24/h6-9,11H,2-5,10,12H2,1H3