3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole

Systemtic Name: 3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole Openeye Name: 3-(azepan-2-yl)-5-(o-tolyl)isoxazole CAS Name: 3-(2-azepanyl)-5-(2-methylphenyl)isoxazole IUPAC Name: 3-(azepan-2-yl)-5-(2-methylphenyl)-1,2-oxazole Traditional Name: 3-(azepan-2-yl)-5-(o-tolyl)isoxazole Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=NO2)C3CCCCCN3

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=NO2)C3CCCCCN3

InChI

InChI=1S/C16H20N2O/c1-12-7-4-5-8-13(12)16-11-15(18-19-16)14-9-3-2-6-10-17-14/h4-5,7-8,11,14,17H,2-3,6,9-10H2,1H3