1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one

Systemtic Name: 1-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Openeye Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one CAS Name: 1-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-4-(1H-indol-3-yl)-1-butanone IUPAC Name: 1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-[4-[(5-bromo-2-thienyl)methyl]piperazino]-4-(1H-indol-3-yl)butan-1-one Formula: C21H24BrN3OS MolecularWeight: 446.40376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Br)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H24BrN3OS/c22-20-9-8-17(27-20)15-24-10-12-25(13-11-24)21(26)7-3-4-16-14-23-19-6-2-1-5-18(16)19/h1-2,5-6,8-9,14,23H,3-4,7,10-13,15H2