(E)-3-(4-nitrophenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(4-nitrophenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(4-nitrophenyl)-1-[4-(6-phenoxy-3-pyridazinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(4-nitrophenyl)-1-[4-(6-phenoxypyridazin-3-yl)piperazino]prop-2-en-1-one Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)OC3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)OC3=CC=CC=C3)C(=O)/C=C/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4/c29-23(13-8-18-6-9-19(10-7-18)28(30)31)27-16-14-26(15-17-27)21-11-12-22(25-24-21)32-20-4-2-1-3-5-20/h1-13H,14-17H2/b13-8+