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

Systemtic Name: 3-(azepan-2-yl)-5-(4-ethylphenyl)-1,2-oxazole Openeye Name: 3-(azepan-2-yl)-5-(4-ethylphenyl)isoxazole CAS Name: 3-(2-azepanyl)-5-(4-ethylphenyl)isoxazole IUPAC Name: 3-(azepan-2-yl)-5-(4-ethylphenyl)-1,2-oxazole Traditional Name: 3-(azepan-2-yl)-5-(4-ethylphenyl)isoxazole Formula: C17H22N2O MolecularWeight: 270.36938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC(=NO2)C3CCCCCN3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC(=NO2)C3CCCCCN3

InChI

InChI=1S/C17H22N2O/c1-2-13-7-9-14(10-8-13)17-12-16(19-20-17)15-6-4-3-5-11-18-15/h7-10,12,15,18H,2-6,11H2,1H3