1-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

Systemtic Name: 1-[4-[2-(3,4-dimethoxyphenyl)ethanoyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Openeye Name: 1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one CAS Name: 1-[4-[2-(3,4-dimethoxyphenyl)-1-oxoethyl]-1-piperazinyl]-3-(1H-indol-3-yl)-1-propanone IUPAC Name: 1-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one Traditional Name: 1-(4-homoveratroylpiperazino)-3-(1H-indol-3-yl)propan-1-one Formula: C25H29N3O4 MolecularWeight: 435.51546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)C(=O)CCC3=CNC4=CC=CC=C43)OC

InChI

InChI=1S/C25H29N3O4/c1-31-22-9-7-18(15-23(22)32-2)16-25(30)28-13-11-27(12-14-28)24(29)10-8-19-17-26-21-6-4-3-5-20(19)21/h3-7,9,15,17,26H,8,10-14,16H2,1-2H3