(3-bromanyl-4-methoxy-phenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-[3-(cyclopropylamino)-4-nitro-phenyl]piperazino]methanone Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NC4CC4)Br

InChI

InChI=1S/C21H23BrN4O4/c1-30-20-7-2-14(12-17(20)22)21(27)25-10-8-24(9-11-25)16-5-6-19(26(28)29)18(13-16)23-15-3-4-15/h2,5-7,12-13,15,23H,3-4,8-11H2,1H3