(3,4-dimethoxyphenyl)-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-(2-hydroxy-3-phenoxy-propyl)piperazino]methanone Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(COC3=CC=CC=C3)O)OC

InChI

InChI=1S/C22H28N2O5/c1-27-20-9-8-17(14-21(20)28-2)22(26)24-12-10-23(11-13-24)15-18(25)16-29-19-6-4-3-5-7-19/h3-9,14,18,25H,10-13,15-16H2,1-2H3