3,3-dimethyl-1-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-(2-nitro-4-piperazin-1-ylcarbonyl-phenyl)piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[2-nitro-4-[oxo(1-piperazinyl)methyl]phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[2-nitro-4-(piperazine-1-carbonyl)phenyl]piperazino]butan-1-one Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCNCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O4/c1-21(2,3)15-19(27)24-12-10-23(11-13-24)17-5-4-16(14-18(17)26(29)30)20(28)25-8-6-22-7-9-25/h4-5,14,22H,6-13,15H2,1-3H3