6-bromanyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline

Systemtic Name: 6-bromanyl-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline Openeye Name: 6-bromo-3-nitro-4-[4-(3-thienylmethyl)piperazin-1-yl]quinoline CAS Name: 6-bromo-3-nitro-4-[4-(3-thiophenylmethyl)-1-piperazinyl]quinoline IUPAC Name: 6-bromo-3-nitro-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]quinoline Traditional Name: 6-bromo-3-nitro-4-[4-(3-thenyl)piperazino]quinoline Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC=C2)C3=C4C=C(C=CC4=NC=C3[N+](=O)[O-])Br

Isomeric SMILES

C1CN(CCN1CC2=CSC=C2)C3=C4C=C(C=CC4=NC=C3[N+](=O)[O-])Br

InChI

InChI=1S/C18H17BrN4O2S/c19-14-1-2-16-15(9-14)18(17(10-20-16)23(24)25)22-6-4-21(5-7-22)11-13-3-8-26-12-13/h1-3,8-10,12H,4-7,11H2