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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

InChI

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