1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(4-ethylphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(4-ethylphenyl)propan-1-one Traditional Name: 3-(4-ethylphenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H28N2O3/c1-2-18-3-5-19(6-4-18)8-10-23(26)25-13-11-24(12-14-25)16-20-7-9-21-22(15-20)28-17-27-21/h3-7,9,15H,2,8,10-14,16-17H2,1H3