methyl 3-(4-chlorophenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)-5-[4-(phenylmethyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate Openeye Name: methyl 5-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)isoxazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-5-[4-(phenylmethyl)-1-piperazinyl]-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-benzylpiperazin-1-yl)-3-(4-chlorophenyl)-1,2-oxazole-4-carboxylate Traditional Name: 5-(4-benzylpiperazino)-3-(4-chlorophenyl)isoxazole-4-carboxylic acid methyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(ON=C1C2=CC=C(C=C2)Cl)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O3/c1-28-22(27)19-20(17-7-9-18(23)10-8-17)24-29-21(19)26-13-11-25(12-14-26)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3