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

Systemtic Name: 3-methyl-1-[4-(3-nitro-4-piperidin-1-yl-phenyl)carbonylpiperazin-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-[3-nitro-4-(1-piperidyl)benzoyl]piperazin-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-[[3-nitro-4-(1-piperidinyl)phenyl]-oxomethyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-methyl-1-[4-(3-nitro-4-piperidin-1-ylbenzoyl)piperazin-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-nitro-4-piperidino-benzoyl)piperazino]butan-1-one Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O4/c1-16(2)14-20(26)23-10-12-24(13-11-23)21(27)17-6-7-18(19(15-17)25(28)29)22-8-4-3-5-9-22/h6-7,15-16H,3-5,8-14H2,1-2H3