2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one

Systemtic Name: 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one Openeye Name: 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-(5-nitrobenzothiophen-3-yl)propan-1-one CAS Name: 2-[4-(1H-indol-4-yl)-1-piperazinyl]-1-(5-nitro-1-benzothiophen-3-yl)-1-propanone IUPAC Name: 2-[4-(1H-indol-4-yl)piperazin-1-yl]-1-(5-nitro-1-benzothiophen-3-yl)propan-1-one Traditional Name: 2-[4-(1H-indol-4-yl)piperazino]-1-(5-nitrobenzothiophen-3-yl)propan-1-one Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC5=C4C=CN5

Isomeric SMILES

CC(C(=O)C1=CSC2=C1C=C(C=C2)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC5=C4C=CN5

InChI

InChI=1S/C23H22N4O3S/c1-15(23(28)19-14-31-22-6-5-16(27(29)30)13-18(19)22)25-9-11-26(12-10-25)21-4-2-3-20-17(21)7-8-24-20/h2-8,13-15,24H,9-12H2,1H3