5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)oxazole-4-carbonitrile CAS Name: 5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-(2-fluorophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-fluorophenyl)-5-(4-veratroylpiperazino)oxazole-4-carbonitrile Formula: C23H21FN4O4 MolecularWeight: 436.435643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CC=C4F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CC=C4F)C#N)OC

InChI

InChI=1S/C23H21FN4O4/c1-30-19-8-7-15(13-20(19)31-2)22(29)27-9-11-28(12-10-27)23-18(14-25)26-21(32-23)16-5-3-4-6-17(16)24/h3-8,13H,9-12H2,1-2H3