1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone

Systemtic Name: 1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone Openeye Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone CAS Name: 1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]-2-[4-(1-pyrazolyl)phenyl]ethanone IUPAC Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]-2-(4-pyrazol-1-ylphenyl)ethanone Traditional Name: 1-[4-(5-nitrothiophene-2-carbonyl)piperazino]-2-(4-pyrazol-1-ylphenyl)ethanone Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4S/c26-18(14-15-2-4-16(5-3-15)24-9-1-8-21-24)22-10-12-23(13-11-22)20(27)17-6-7-19(30-17)25(28)29/h1-9H,10-14H2