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

Systemtic Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: N-(2-morpholinoethyl)-3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: N-[2-(4-morpholinyl)ethyl]-3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: N-(2-morpholin-4-ylethyl)-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: N-(2-morpholinoethyl)-3-nitro-4-[4-(2-pyridyl)piperazino]benzamide Formula: C22H28N6O4 MolecularWeight: 440.49552

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C22H28N6O4/c29-22(24-7-8-25-13-15-32-16-14-25)18-4-5-19(20(17-18)28(30)31)26-9-11-27(12-10-26)21-3-1-2-6-23-21/h1-6,17H,7-16H2,(H,24,29)