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

Systemtic Name: 2-oxidanylidenepropyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: acetonyl 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-oxopropyl ester IUPAC Name: 2-oxopropyl 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 acetonyl ester Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

Isomeric SMILES

CC(=O)COC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2

InChI

InChI=1S/C17H18N2O4/c1-11(20)10-23-17(22)12-6-7-13-14(9-12)18-15-5-3-2-4-8-19(15)16(13)21/h6-7,9H,2-5,8,10H2,1H3