4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-nitro-1-phenyl-butan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCC(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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