azepan-1-yl-[(5S)-3-[(2-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone

Systemtic Name: azepan-1-yl-[(5S)-3-[(2-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone Openeye Name: azepan-1-yl-[(5S)-3-[(2-chlorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methanone CAS Name: 1-azepanyl-[(5S)-3-[(2-chlorophenyl)methyl]-4,5-dihydroisoxazol-5-yl]methanone IUPAC Name: azepan-1-yl-[(5S)-3-[(2-chlorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methanone Traditional Name: azepan-1-yl-[(5S)-3-(2-chlorobenzyl)-2-isoxazolin-5-yl]methanone Formula: C17H21ClN2O2 MolecularWeight: 320.81384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC(=NO2)CC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CC(=NO2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C17H21ClN2O2/c18-15-8-4-3-7-13(15)11-14-12-16(22-19-14)17(21)20-9-5-1-2-6-10-20/h3-4,7-8,16H,1-2,5-6,9-12H2/t16-/m0/s1