N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(5-nitrothiophen-2-yl)carbonylamino]piperidine-4-carboxamide

Systemtic Name: N-[2-(5-fluoranyl-1H-indol-3-yl)ethyl]-4-[(5-nitrothiophen-2-yl)carbonylamino]piperidine-4-carboxamide Openeye Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(5-nitrothiophene-2-carbonyl)amino]piperidine-4-carboxamide CAS Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[[(5-nitro-2-thiophenyl)-oxomethyl]amino]-4-piperidinecarboxamide IUPAC Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(5-nitrothiophene-2-carbonyl)amino]piperidine-4-carboxamide Traditional Name: N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-[(5-nitrothiophene-2-carbonyl)amino]isonipecotamide Formula: C21H22FN5O4S MolecularWeight: 459.493883

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1(C(=O)NCCC2=CNC3=C2C=C(C=C3)F)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCC1(C(=O)NCCC2=CNC3=C2C=C(C=C3)F)NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN5O4S/c22-14-1-2-16-15(11-14)13(12-25-16)5-8-24-20(29)21(6-9-23-10-7-21)26-19(28)17-3-4-18(32-17)27(30)31/h1-4,11-12,23,25H,5-10H2,(H,24,29)(H,26,28)