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

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(2-thienyl)oxazole-4-carbonitrile CAS Name: 5-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-thiophen-2-yl-4-oxazolecarbonitrile IUPAC Name: 5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-thiophen-2-yl-1,3-oxazole-4-carbonitrile Traditional Name: 2-(2-thienyl)-5-(4-veratroylpiperazino)oxazole-4-carbonitrile Formula: C21H20N4O4S MolecularWeight: 424.4729

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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=CS4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=C(N=C(O3)C4=CC=CS4)C#N)OC

InChI

InChI=1S/C21H20N4O4S/c1-27-16-6-5-14(12-17(16)28-2)20(26)24-7-9-25(10-8-24)21-15(13-22)23-19(29-21)18-4-3-11-30-18/h3-6,11-12H,7-10H2,1-2H3