[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(2,5-dimethylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,5-dimethylphenyl)methanone Traditional Name: (2,5-dimethylphenyl)-(4-piperonylpiperazino)methanone Formula: C21H24N2O3 MolecularWeight: 352.42686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c1-15-3-4-16(2)18(11-15)21(24)23-9-7-22(8-10-23)13-17-5-6-19-20(12-17)26-14-25-19/h3-6,11-12H,7-10,13-14H2,1-2H3