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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromanyl-4-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromo-4-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(3-bromo-4-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(3-bromo-4-methoxyphenyl)methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C20H21BrN2O4/c1-25-17-5-3-15(11-16(17)21)20(24)23-8-6-22(7-9-23)12-14-2-4-18-19(10-14)27-13-26-18/h2-5,10-11H,6-9,12-13H2,1H3