(5-nitrothiophen-2-yl)-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (5-nitrothiophen-2-yl)-[4-[1-(phenylmethyl)pyrazol-4-yl]carbonylpiperazin-1-yl]methanone Openeye Name: [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-(5-nitro-2-thienyl)methanone CAS Name: (5-nitro-2-thiophenyl)-[4-[oxo-[1-(phenylmethyl)-4-pyrazolyl]methyl]-1-piperazinyl]methanone IUPAC Name: [4-(1-benzylpyrazole-4-carbonyl)piperazin-1-yl]-(5-nitrothiophen-2-yl)methanone Traditional Name: [4-(1-benzylpyrazole-4-carbonyl)piperazino]-(5-nitro-2-thienyl)methanone Formula: C20H19N5O4S MolecularWeight: 425.46096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CN(N=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(S2)[N+](=O)[O-])C(=O)C3=CN(N=C3)CC4=CC=CC=C4

InChI

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