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

Systemtic Name: [(1R)-1-cyanoethyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 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 [(1R)-1-cyanoethyl] ester Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

InChI

InChI=1S/C17H17N3O3/c1-11(10-18)23-17(22)12-6-7-13-14(9-12)19-15-5-3-2-4-8-20(15)16(13)21/h6-7,9,11H,2-5,8H2,1H3/t11-/m1/s1