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

Systemtic Name: N-butan-2-yl-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-butan-2-yl-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-nitro-4-[4-(2-pyridyl)piperazino]-N-sec-butyl-benzamide Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O3/c1-3-15(2)22-20(26)16-7-8-17(18(14-16)25(27)28)23-10-12-24(13-11-23)19-6-4-5-9-21-19/h4-9,14-15H,3,10-13H2,1-2H3,(H,22,26)