N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-phenyl-ethanamide Openeye Name: N-[2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-2-oxo-ethyl]-2-phenyl-acetamide CAS Name: N-[2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-2-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-2-oxoethyl]-2-phenylacetamide Traditional Name: N-[2-keto-2-[4-(6-nitro-3-pyridyl)piperazino]ethyl]-2-phenyl-acetamide Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N5O4/c25-18(12-15-4-2-1-3-5-15)21-14-19(26)23-10-8-22(9-11-23)16-6-7-17(20-13-16)24(27)28/h1-7,13H,8-12,14H2,(H,21,25)