2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(4-chlorophenyl)-5-[4-(3-methoxybenzoyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-(4-chlorophenyl)-5-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-(4-chlorophenyl)-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(4-chlorophenyl)-5-(4-m-anisoylpiperazino)oxazole-4-carbonitrile Formula: C22H19ClN4O3 MolecularWeight: 422.86426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=C(C=C4)Cl)C#N

InChI

InChI=1S/C22H19ClN4O3/c1-29-18-4-2-3-16(13-18)21(28)26-9-11-27(12-10-26)22-19(14-24)25-20(30-22)15-5-7-17(23)8-6-15/h2-8,13H,9-12H2,1H3