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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazin-1-yl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazin-1-yl)-3-(7-ethyl-1H-indol-3-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(4-benzylpiperazino)-3-(7-ethyl-1H-indol-3-yl)propan-1-one Formula: C31H33N3O3 MolecularWeight: 495.61202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(CC(=O)N3CCN(CC3)CC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H33N3O3/c1-2-23-9-6-10-25-27(19-32-31(23)25)26(24-11-12-28-29(17-24)37-21-36-28)18-30(35)34-15-13-33(14-16-34)20-22-7-4-3-5-8-22/h3-12,17,19,26,32H,2,13-16,18,20-21H2,1H3