3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 5-(2-thienyl)-3-[(4-veratrylpiperazino)methyl]isoxazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NOC(=C3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)CC3=NOC(=C3)C4=CC=CS4)OC

InChI

InChI=1S/C21H25N3O3S/c1-25-18-6-5-16(12-19(18)26-2)14-23-7-9-24(10-8-23)15-17-13-20(27-22-17)21-4-3-11-28-21/h3-6,11-13H,7-10,14-15H2,1-2H3