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

Systemtic Name: 2-chloranylprop-2-enyl 12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate Openeye Name: 2-chloroallyl 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-chloroprop-2-enyl ester IUPAC Name: 2-chloroprop-2-enyl 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-chloroallyl ester Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O3/c1-11(18)10-23-17(22)12-6-7-13-14(9-12)19-15-5-3-2-4-8-20(15)16(13)21/h6-7,9H,1-5,8,10H2