2-(4-butan-2-ylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(4-butan-2-ylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]-2-(4-sec-butylphenoxy)ethanone CAS Name: 2-(4-butan-2-ylphenoxy)-1-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-butan-2-ylphenoxy)-1-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-(3-morpholino-4-nitro-phenyl)piperazino]-2-(4-sec-butylphenoxy)ethanone Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C26H34N4O5/c1-3-20(2)21-4-7-23(8-5-21)35-19-26(31)29-12-10-27(11-13-29)22-6-9-24(30(32)33)25(18-22)28-14-16-34-17-15-28/h4-9,18,20H,3,10-17,19H2,1-2H3