[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methyl-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-ethoxy-3-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methylphenyl)methanone Traditional Name: (4-ethoxy-3-methyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N2O4/c1-3-26-19-7-5-18(12-16(19)2)22(25)24-10-8-23(9-11-24)14-17-4-6-20-21(13-17)28-15-27-20/h4-7,12-13H,3,8-11,14-15H2,1-2H3