3,5-dimethyl-N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3,5-dimethyl-N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3,5-dimethyl-N-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]benzamide CAS Name: 3,5-dimethyl-N-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]benzamide Traditional Name: N-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-3,5-dimethyl-benzamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O4/c1-14-9-15(2)11-16(10-14)20(27)22-13-19(26)24-7-5-23(6-8-24)17-3-4-18(21-12-17)25(28)29/h3-4,9-12H,5-8,13H2,1-2H3,(H,22,27)