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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-phenoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-phenoxyphenyl)methanone Traditional Name: (4-phenoxyphenyl)-(4-piperonylpiperazino)methanone Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C25H24N2O4/c28-25(20-7-9-22(10-8-20)31-21-4-2-1-3-5-21)27-14-12-26(13-15-27)17-19-6-11-23-24(16-19)30-18-29-23/h1-11,16H,12-15,17-18H2