2,2-dimethyl-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]propanamide

Systemtic Name: 2,2-dimethyl-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]propanamide Openeye Name: 2,2-dimethyl-N-[3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]propanamide CAS Name: 2,2-dimethyl-N-[3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]propanamide IUPAC Name: 2,2-dimethyl-N-[3-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phenyl]propanamide Traditional Name: 2,2-dimethyl-N-[3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]propionamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-21(2,3)20(28)23-16-6-4-5-15(13-16)19(27)25-11-9-24(10-12-25)17-7-8-18(22-14-17)26(29)30/h4-8,13-14H,9-12H2,1-3H3,(H,23,28)