3-(1,3-benzodioxol-5-yl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-m-anisoylpiperazino)propan-1-one Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H24N2O5/c1-27-18-4-2-3-17(14-18)22(26)24-11-9-23(10-12-24)21(25)8-6-16-5-7-19-20(13-16)29-15-28-19/h2-5,7,13-14H,6,8-12,15H2,1H3