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

Systemtic Name: (2-cyanophenyl) 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: (2-cyanophenyl) 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-cyanophenyl) ester IUPAC Name: (2-cyanophenyl) 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-cyanophenyl) ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4C#N)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4=CC=CC=C4C#N)C(=O)N2CC1

InChI

InChI=1S/C21H17N3O3/c22-13-15-6-3-4-7-18(15)27-21(26)14-9-10-16-17(12-14)23-19-8-2-1-5-11-24(19)20(16)25/h3-4,6-7,9-10,12H,1-2,5,8,11H2