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

Systemtic Name: 3-nitro-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-nitro-N-(2-oxolanylmethyl)-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-N-(oxolan-2-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]-N-(tetrahydrofurfuryl)benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c27-21(23-15-17-4-3-13-30-17)16-6-7-18(19(14-16)26(28)29)24-9-11-25(12-10-24)20-5-1-2-8-22-20/h1-2,5-8,14,17H,3-4,9-13,15H2,(H,23,27)