2-fluoranyl-6-[4-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[(2S)-1-thiophen-2-ylcarbonylpyrrolidin-2-yl]carbonylpiperazin-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[oxo-[(2S)-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinyl]methyl]-1-piperazinyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[(2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-[(2S)-1-(2-thenoyl)prolyl]piperazino]benzonitrile Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC=CS2)C(=O)N3CCN(CC3)C4=C(C(=CC=C4)F)C#N

InChI

InChI=1S/C21H21FN4O2S/c22-16-4-1-5-17(15(16)14-23)24-9-11-25(12-10-24)20(27)18-6-2-8-26(18)21(28)19-7-3-13-29-19/h1,3-5,7,13,18H,2,6,8-12H2/t18-/m0/s1