[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)-5-methyl-oxazole-4-carboxylate CAS Name: 2-(4-chlorophenyl)-5-methyl-4-oxazolecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylate Traditional Name: 2-(4-chlorophenyl)-5-methyl-oxazole-4-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=C(C=C2)Cl)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O4/c1-13-17(22-18(26-13)15-7-9-16(21)10-8-15)20(25)27-14(2)19(24)23-11-5-3-4-6-12-23/h7-10,14H,3-6,11-12H2,1-2H3