3-(azepan-2-yl)-5-(4-methylphenyl)-1,2-oxazole

Systemtic Name: 3-(azepan-2-yl)-5-(4-methylphenyl)-1,2-oxazole Openeye Name: 3-(azepan-2-yl)-5-(p-tolyl)isoxazole CAS Name: 3-(2-azepanyl)-5-(4-methylphenyl)isoxazole IUPAC Name: 3-(azepan-2-yl)-5-(4-methylphenyl)-1,2-oxazole Traditional Name: 3-(azepan-2-yl)-5-(p-tolyl)isoxazole Formula: C16H20N2O MolecularWeight: 256.3428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NO2)C3CCCCCN3

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NO2)C3CCCCCN3

InChI

InChI=1S/C16H20N2O/c1-12-6-8-13(9-7-12)16-11-15(18-19-16)14-5-3-2-4-10-17-14/h6-9,11,14,17H,2-5,10H2,1H3