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

Systemtic Name: (4-butoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-butoxyphenyl)-[4-[3-(methylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-butoxyphenyl)-[4-[3-(methylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[4-[3-(methylamino)-4-nitro-phenyl]piperazino]methanone Formula: C22H28N4O4 MolecularWeight: 412.48212

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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-])NC

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4/c1-3-4-15-30-19-8-5-17(6-9-19)22(27)25-13-11-24(12-14-25)18-7-10-21(26(28)29)20(16-18)23-2/h5-10,16,23H,3-4,11-15H2,1-2H3