[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hexoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hexoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hexoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-hexoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-hexoxyphenyl)methanone Traditional Name: (4-hexoxyphenyl)-(4-piperonylpiperazino)methanone Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H32N2O4/c1-2-3-4-5-16-29-22-9-7-21(8-10-22)25(28)27-14-12-26(13-15-27)18-20-6-11-23-24(17-20)31-19-30-23/h6-11,17H,2-5,12-16,18-19H2,1H3