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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3,4,5-triethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone Traditional Name: (4-piperonylpiperazino)-(3,4,5-triethoxyphenyl)methanone Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H32N2O6/c1-4-29-22-14-19(15-23(30-5-2)24(22)31-6-3)25(28)27-11-9-26(10-12-27)16-18-7-8-20-21(13-18)33-17-32-20/h7-8,13-15H,4-6,9-12,16-17H2,1-3H3