2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C26H25ClN6O5S MolecularWeight: 569.0319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C26H25ClN6O5S/c1-16-23(25(35)32(29(16)2)17-6-4-3-5-7-17)28-21(34)15-30-10-12-31(13-11-30)26(36)24-22(27)19-9-8-18(33(37)38)14-20(19)39-24/h3-9,14H,10-13,15H2,1-2H3,(H,28,34)