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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-butoxy-3-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-butoxy-3-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-butoxy-3-methoxyphenyl)methanone Traditional Name: (4-butoxy-3-methoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C24H30N2O5/c1-3-4-13-29-20-8-6-19(15-22(20)28-2)24(27)26-11-9-25(10-12-26)16-18-5-7-21-23(14-18)31-17-30-21/h5-8,14-15H,3-4,9-13,16-17H2,1-2H3