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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-phenoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-phenoxyphenyl)methanone Traditional Name: (3-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(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

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

InChI

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