3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C31H33N3O4 MolecularWeight: 511.61142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O4/c1-3-21-5-4-6-25-27(19-32-31(21)25)26(22-7-12-28-29(17-22)38-20-37-28)18-30(35)34-15-13-33(14-16-34)23-8-10-24(36-2)11-9-23/h4-12,17,19,26,32H,3,13-16,18,20H2,1-2H3