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

Systemtic Name: (3-bromanyl-4-methoxy-phenyl)-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-4-methoxy-phenyl)-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-bromo-4-methoxyphenyl)-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-methoxyphenyl)-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-4-methoxy-phenyl)-[4-(4-nitro-3-piperidino-phenyl)piperazino]methanone Formula: C23H27BrN4O4 MolecularWeight: 503.38888

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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-])N4CCCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)Br

InChI

InChI=1S/C23H27BrN4O4/c1-32-22-8-5-17(15-19(22)24)23(29)27-13-11-25(12-14-27)18-6-7-20(28(30)31)21(16-18)26-9-3-2-4-10-26/h5-8,15-16H,2-4,9-14H2,1H3