4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole

Systemtic Name: 4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 4-[[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]methyl]-2-phenyl-thiazole CAS Name: 4-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 4-[[4-(8-nitro-5-isoquinolyl)piperazino]methyl]-2-phenyl-thiazole Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CC=CC=C3)C4=C5C=CN=CC5=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O2S/c29-28(30)22-7-6-21(19-8-9-24-14-20(19)22)27-12-10-26(11-13-27)15-18-16-31-23(25-18)17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2