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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (2-benzamido-2-oxo-ethyl) 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 (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 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 (2-benzamido-2-keto-ethyl) ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OCC(=O)NC(=O)C4=CC=CC=C4)C(=O)N2CC1

InChI

InChI=1S/C23H21N3O5/c27-20(25-21(28)15-7-3-1-4-8-15)14-31-23(30)16-10-11-17-18(13-16)24-19-9-5-2-6-12-26(19)22(17)29/h1,3-4,7-8,10-11,13H,2,5-6,9,12,14H2,(H,25,27,28)