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

Systemtic Name: 3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-4-yl)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-4-yl)-3-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-4-yl)-1-(4-benzylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-4-yl)-1-(4-benzylpiperazino)-3-(1H-indol-3-yl)propan-1-one Formula: C29H29N3O3 MolecularWeight: 467.55886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=C4C(=CC=C3)OCO4)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC(C3=C4C(=CC=C3)OCO4)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H29N3O3/c33-28(32-15-13-31(14-16-32)19-21-7-2-1-3-8-21)17-24(23-10-6-12-27-29(23)35-20-34-27)25-18-30-26-11-5-4-9-22(25)26/h1-12,18,24,30H,13-17,19-20H2