(4-butoxyphenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C25H32N4O5/c1-2-3-16-34-22-7-4-20(5-8-22)25(30)28-12-10-26(11-13-28)21-6-9-23(29(31)32)24(19-21)27-14-17-33-18-15-27/h4-9,19H,2-3,10-18H2,1H3