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

Systemtic Name: 2-(3-chlorophenyl)-5-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 2-(3-chlorophenyl)-5-[4-(3-methoxybenzoyl)piperazin-1-yl]oxazole-4-carbonitrile CAS Name: 2-(3-chlorophenyl)-5-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-4-oxazolecarbonitrile IUPAC Name: 2-(3-chlorophenyl)-5-[4-(3-methoxybenzoyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Traditional Name: 2-(3-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(=CC=C4)Cl)C#N

Isomeric SMILES

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

InChI

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