2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2,6-dimethyl-1H-indol-3-yl)-1-propanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2,6-dimethyl-1H-indol-3-yl)propan-1-one Traditional Name: 1-(2,6-dimethyl-1H-indol-3-yl)-2-(4-piperonylpiperazino)propan-1-one Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C)C(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O3/c1-16-4-6-20-21(12-16)26-17(2)24(20)25(29)18(3)28-10-8-27(9-11-28)14-19-5-7-22-23(13-19)31-15-30-22/h4-7,12-13,18,26H,8-11,14-15H2,1-3H3