[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone

Systemtic Name: [4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone Openeye Name: (4-isobutoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: [4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-[4-(2-methylpropoxy)phenyl]methanone IUPAC Name: [4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone Traditional Name: (4-isobutoxyphenyl)-[4-(4-methoxy-2-nitro-phenyl)piperazino]methanone Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-16(2)15-30-18-6-4-17(5-7-18)22(26)24-12-10-23(11-13-24)20-9-8-19(29-3)14-21(20)25(27)28/h4-9,14,16H,10-13,15H2,1-3H3