(2S)-N-[(4-fluorophenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-fluorophenyl)methyl]-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-(4-fluorobenzyl)pyrrolidine-2-carboxamide Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1C[C@H](N(C1)C2=NC=CC(=N2)NC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN5O/c23-17-10-8-16(9-11-17)15-25-21(29)19-7-4-14-28(19)22-24-13-12-20(27-22)26-18-5-2-1-3-6-18/h1-3,5-6,8-13,19H,4,7,14-15H2,(H,25,29)(H,24,26,27)/t19-/m0/s1