(5-chloranylquinolin-8-yl) azepane-1-carboxylate

Systemtic Name: (5-chloranylquinolin-8-yl) azepane-1-carboxylate Openeye Name: (5-chloro-8-quinolyl) azepane-1-carboxylate CAS Name: 1-azepanecarboxylic acid (5-chloro-8-quinolinyl) ester IUPAC Name: (5-chloroquinolin-8-yl) azepane-1-carboxylate Traditional Name: azepane-1-carboxylic acid (5-chloro-8-quinolyl) ester Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3

InChI

InChI=1S/C16H17ClN2O2/c17-13-7-8-14(15-12(13)6-5-9-18-15)21-16(20)19-10-3-1-2-4-11-19/h5-9H,1-4,10-11H2