(2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: (2R)-2-(4-tert-butylphenoxy)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H](C(=O)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H29N3O4/c1-17(30-21-11-5-18(6-12-21)23(2,3)4)22(27)25-15-13-24(14-16-25)19-7-9-20(10-8-19)26(28)29/h5-12,17H,13-16H2,1-4H3/t17-/m1/s1