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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=C(O2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)C#N

InChI

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