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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(5-bromo-2-methoxyphenyl)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]prop-2-en-1-one Formula: C25H29BrN4O4 MolecularWeight: 529.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29BrN4O4/c1-34-24-9-6-20(26)17-19(24)5-10-25(31)29-15-13-27(14-16-29)21-7-8-22(30(32)33)23(18-21)28-11-3-2-4-12-28/h5-10,17-18H,2-4,11-16H2,1H3