[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenyl)-2-methyl-pyridin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenyl)-2-methyl-3-pyridyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[6-(3-bromophenyl)-2-methyl-3-pyridinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[6-(3-bromophenyl)-2-methylpyridin-3-yl]methanone Traditional Name: [6-(3-bromophenyl)-2-methyl-3-pyridyl]-(4-piperonylpiperazino)methanone Formula: C25H24BrN3O3 MolecularWeight: 494.38036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC(=CC=C2)Br)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H24BrN3O3/c1-17-21(6-7-22(27-17)19-3-2-4-20(26)14-19)25(30)29-11-9-28(10-12-29)15-18-5-8-23-24(13-18)32-16-31-23/h2-8,13-14H,9-12,15-16H2,1H3