methyl 5-(azepan-1-yl)-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 5-(azepan-1-yl)-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate Openeye Name: methyl 5-(azepan-1-yl)-3-(4-chlorophenyl)isoxazole-4-carboxylate CAS Name: 5-(1-azepanyl)-3-(4-chlorophenyl)-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(azepan-1-yl)-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate Traditional Name: 5-(azepan-1-yl)-3-(4-chlorophenyl)isoxazole-4-carboxylic acid methyl ester Formula: C17H19ClN2O3 MolecularWeight: 334.79736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Cl)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Cl)N3CCCCCC3

InChI

InChI=1S/C17H19ClN2O3/c1-22-17(21)14-15(12-6-8-13(18)9-7-12)19-23-16(14)20-10-4-2-3-5-11-20/h6-9H,2-5,10-11H2,1H3