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

Systemtic Name: ethyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate chloride Openeye Name: ethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate chloride CAS Name: 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate chloride Traditional Name: 12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylic acid ethyl ester chloride Formula: C16H18ClN2O3- MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N3CCCCCC3=N2.[Cl-]

InChI

InChI=1S/C16H18N2O3.ClH/c1-2-21-16(20)11-7-8-12-13(10-11)17-14-6-4-3-5-9-18(14)15(12)19;/h7-8,10H,2-6,9H2,1H3;1H/p-1