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

Systemtic Name: 3-nitro-N-(pyridin-3-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Openeye Name: 3-nitro-N-(3-pyridylmethyl)-4-[4-(2-pyridyl)piperazin-1-yl]benzamide CAS Name: 3-nitro-N-(3-pyridinylmethyl)-4-[4-(2-pyridinyl)-1-piperazinyl]benzamide IUPAC Name: 3-nitro-N-(pyridin-3-ylmethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide Traditional Name: 3-nitro-N-(3-pyridylmethyl)-4-[4-(2-pyridyl)piperazino]benzamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C22H22N6O3/c29-22(25-16-17-4-3-8-23-15-17)18-6-7-19(20(14-18)28(30)31)26-10-12-27(13-11-26)21-5-1-2-9-24-21/h1-9,14-15H,10-13,16H2,(H,25,29)