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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: [(1S)-2-oxocyclohexyl] 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 [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 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 [(1S)-2-ketocyclohexyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)OC4CCCCC4=O)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)O[C@H]4CCCCC4=O)C(=O)N2CC1

InChI

InChI=1S/C20H22N2O4/c23-16-6-3-4-7-17(16)26-20(25)13-9-10-14-15(12-13)21-18-8-2-1-5-11-22(18)19(14)24/h9-10,12,17H,1-8,11H2/t17-/m0/s1