3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride

Systemtic Name: 3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride Openeye Name: 3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride CAS Name: 3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride IUPAC Name: 3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride Traditional Name: 3-(1-phenylethylamino)-3,4-dihydro-2H-1-benzoxepin-5-one hydrochloride Formula: C18H20ClNO2 MolecularWeight: 317.8099

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC2CC(=O)C3=CC=CC=C3OC2.Cl

Isomeric SMILES

CC(C1=CC=CC=C1)NC2CC(=O)C3=CC=CC=C3OC2.Cl

InChI

InChI=1S/C18H19NO2.ClH/c1-13(14-7-3-2-4-8-14)19-15-11-17(20)16-9-5-6-10-18(16)21-12-15;/h2-10,13,15,19H,11-12H2,1H3;1H