3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3,5-dibromo-2-methoxy-phenyl)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3,5-dibromo-2-methoxyphenyl)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3,5-dibromo-2-methoxyphenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3,5-dibromo-2-methoxy-phenyl)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]prop-2-en-1-one Formula: C25H28Br2N4O4 MolecularWeight: 608.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C=CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C=CC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4)Br)Br

InChI

InChI=1S/C25H28Br2N4O4/c1-35-25-18(15-19(26)16-21(25)27)5-8-24(32)30-13-11-28(12-14-30)20-6-7-22(31(33)34)23(17-20)29-9-3-2-4-10-29/h5-8,15-17H,2-4,9-14H2,1H3