4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-(2-nitrophenyl)piperazino]butan-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

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