4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-2-one

Systemtic Name: 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-2-one Openeye Name: 4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazin-2-one CAS Name: 4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-2-piperazinone IUPAC Name: 4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-2-one Traditional Name: 4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazin-2-one Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCNC(=O)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O4/c1-12-3-2-7-19(10-12)14-5-4-13(9-15(14)21(24)25)17(23)20-8-6-18-16(22)11-20/h4-5,9,12H,2-3,6-8,10-11H2,1H3,(H,18,22)