2-methyl-N-[3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-oxidanylidene-propyl]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O4/c1-15-4-2-3-5-17(15)20(27)21-9-8-19(26)24-12-10-23(11-13-24)16-6-7-18(22-14-16)25(28)29/h2-7,14H,8-13H2,1H3,(H,21,27)