(2S)-1-[(2S)-2-azanyl-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile

Systemtic Name: (2S)-1-[(2S)-2-azanyl-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-4-fluoranyl-pyrrolidine-2-carbonitrile Openeye Name: (2S)-1-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile CAS Name: (2S)-1-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]-1-oxopropyl]-4-fluoro-2-pyrrolidinecarbonitrile IUPAC Name: (2S)-1-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-4-fluoropyrrolidine-2-carbonitrile Traditional Name: (2S)-1-[(2S)-2-amino-3-[5-(4-nitrophenoxy)-1H-indol-3-yl]propanoyl]-4-fluoro-pyrrolidine-2-carbonitrile Formula: C22H20FN5O4 MolecularWeight: 437.423703

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C#N)C(=O)C(CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])N)F

Isomeric SMILES

C1[C@H](N(CC1F)C(=O)[C@H](CC2=CNC3=C2C=C(C=C3)OC4=CC=C(C=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C22H20FN5O4/c23-14-8-16(10-24)27(12-14)22(29)20(25)7-13-11-26-21-6-5-18(9-19(13)21)32-17-3-1-15(2-4-17)28(30)31/h1-6,9,11,14,16,20,26H,7-8,12,25H2/t14?,16-,20-/m0/s1