1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(4-piperonyloylpiperazino)butan-1-one Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=CNC3=CC=CC=C32)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4/c28-23(7-3-4-18-15-25-20-6-2-1-5-19(18)20)26-10-12-27(13-11-26)24(29)17-8-9-21-22(14-17)31-16-30-21/h1-2,5-6,8-9,14-15,25H,3-4,7,10-13,16H2