2-methyl-1-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-1-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[3-nitro-4-(1-piperidyl)benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-(3-nitro-4-piperidino-benzoyl)piperazino]propan-1-one Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c1-15(2)19(25)22-10-12-23(13-11-22)20(26)16-6-7-17(18(14-16)24(27)28)21-8-4-3-5-9-21/h6-7,14-15H,3-5,8-13H2,1-2H3