3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dimethylphenyl)piperazino]propan-1-one Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H26N2O3/c1-16-4-3-5-19(17(16)2)23-10-12-24(13-11-23)22(25)9-7-18-6-8-20-21(14-18)27-15-26-20/h3-6,8,14H,7,9-13,15H2,1-2H3