N-hexyl-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide

Systemtic Name: N-hexyl-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-hexyl-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-hexyl-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-hexyl-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-hexyl-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O3/c1-2-3-4-6-12-24-22(28)18-9-10-19(20(17-18)27(29)30)25-13-15-26(16-14-25)21-8-5-7-11-23-21/h5,7-11,17H,2-4,6,12-16H2,1H3,(H,24,28)