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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromanyl-3-methyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-3-methyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-bromo-3-methylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-bromo-3-methylphenyl)methanone Traditional Name: (4-bromo-3-methyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN2O3/c1-14-10-16(3-4-17(14)21)20(24)23-8-6-22(7-9-23)12-15-2-5-18-19(11-15)26-13-25-18/h2-5,10-11H,6-9,12-13H2,1H3