(Z)-3-(4-fluorophenyl)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (Z)-3-(4-fluorophenyl)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-thiophen-2-yl-prop-2-en-1-one Openeye Name: (Z)-3-(4-fluorophenyl)-1-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-2-(2-thienyl)prop-2-en-1-one CAS Name: (Z)-3-(4-fluorophenyl)-1-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-2-thiophen-2-yl-2-propen-1-one IUPAC Name: (Z)-3-(4-fluorophenyl)-1-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-2-thiophen-2-ylprop-2-en-1-one Traditional Name: (Z)-3-(4-fluorophenyl)-1-[4-(8-nitro-5-isoquinolyl)piperazino]-2-(2-thienyl)prop-2-en-1-one Formula: C26H21FN4O3S MolecularWeight: 488.533343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)C(=CC4=CC=C(C=C4)F)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)/C(=C/C4=CC=C(C=C4)F)/C5=CC=CS5

InChI

InChI=1S/C26H21FN4O3S/c27-19-5-3-18(4-6-19)16-21(25-2-1-15-35-25)26(32)30-13-11-29(12-14-30)23-7-8-24(31(33)34)22-17-28-10-9-20(22)23/h1-10,15-17H,11-14H2/b21-16+