[4-(4-nitrophenyl)piperazin-1-yl]-(4-pentoxyphenyl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4-pentoxyphenyl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4-pentoxyphenyl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(4-pentoxyphenyl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4-pentoxyphenyl)methanone Traditional Name: (4-amoxyphenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4/c1-2-3-4-17-29-21-11-5-18(6-12-21)22(26)24-15-13-23(14-16-24)19-7-9-20(10-8-19)25(27)28/h5-12H,2-4,13-17H2,1H3