2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(5-methyl-2-propan-2-yl-phenoxy)-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(5-methyl-2-propan-2-ylphenoxy)-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C27H36N4O4 MolecularWeight: 480.59914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C27H36N4O4/c1-20(2)23-9-7-21(3)17-26(23)35-19-27(32)30-15-13-28(14-16-30)22-8-10-24(31(33)34)25(18-22)29-11-5-4-6-12-29/h7-10,17-18,20H,4-6,11-16,19H2,1-3H3