4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(2-methylphenoxy)-1-[4-(4-nitrophenyl)piperazino]butan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-17-5-2-3-6-20(17)28-16-4-7-21(25)23-14-12-22(13-15-23)18-8-10-19(11-9-18)24(26)27/h2-3,5-6,8-11H,4,7,12-16H2,1H3