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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromanyl-2,3,4-trimethyl-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-2,3,4-trimethyl-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(5-bromo-2,3,4-trimethylphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-bromo-2,3,4-trimethylphenyl)methanone Traditional Name: (5-bromo-2,3,4-trimethyl-phenyl)-(4-piperonylpiperazino)methanone Formula: C22H25BrN2O3 MolecularWeight: 445.3495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1C)Br)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C(=CC(=C1C)Br)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H25BrN2O3/c1-14-15(2)18(11-19(23)16(14)3)22(26)25-8-6-24(7-9-25)12-17-4-5-20-21(10-17)28-13-27-20/h4-5,10-11H,6-9,12-13H2,1-3H3