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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)propan-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethyl-indol-3-yl)propan-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(5-methoxy-1,2-dimethyl-3-indolyl)-1-propanone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(5-methoxy-1,2-dimethylindol-3-yl)propan-1-one Traditional Name: 1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-(4-piperonylpiperazino)propan-1-one Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C(C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O4/c1-17-25(21-14-20(31-4)6-7-22(21)27(17)3)26(30)18(2)29-11-9-28(10-12-29)15-19-5-8-23-24(13-19)33-16-32-23/h5-8,13-14,18H,9-12,15-16H2,1-4H3