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

Systemtic Name: (3-acetamidophenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (3-acetamidophenyl) 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 (3-acetamidophenyl) ester IUPAC Name: (3-acetamidophenyl) 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 (3-acetamidophenyl) ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)OC(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C22H21N3O4/c1-14(26)23-16-6-5-7-17(13-16)29-22(28)15-9-10-18-19(12-15)24-20-8-3-2-4-11-25(20)21(18)27/h5-7,9-10,12-13H,2-4,8,11H2,1H3,(H,23,26)