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

Systemtic Name: 1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 2-(4-isopropylphenoxy)-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 2-(4-isopropylphenoxy)-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]ethanone Formula: C26H34N4O4 MolecularWeight: 466.57256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O4/c1-20(2)21-6-9-23(10-7-21)34-19-26(31)29-16-14-27(15-17-29)22-8-11-24(30(32)33)25(18-22)28-12-4-3-5-13-28/h6-11,18,20H,3-5,12-17,19H2,1-2H3