2-(3,4-dimethoxyphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[4-(phenylcarbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile Openeye Name: 5-(4-benzoylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-(4-benzoyl-1-piperazinyl)-2-(3,4-dimethoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(4-benzoylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(4-benzoylpiperazino)-2-(3,4-dimethoxyphenyl)oxazole-4-carbonitrile Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O4/c1-29-19-9-8-17(14-20(19)30-2)21-25-18(15-24)23(31-21)27-12-10-26(11-13-27)22(28)16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3