(2S)-N-cyclooctyl-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-cyclooctyl-1-(4-phenylazanylpyrimidin-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-cyclooctyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-anilino-2-pyrimidinyl)-N-cyclooctyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-cyclooctylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-(4-anilinopyrimidin-2-yl)-N-cyclooctyl-pyrrolidine-2-carboxamide Formula: C23H31N5O MolecularWeight: 393.52514

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)C2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CCC1)NC(=O)[C@@H]2CCCN2C3=NC=CC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C23H31N5O/c29-22(26-19-12-5-2-1-3-6-13-19)20-14-9-17-28(20)23-24-16-15-21(27-23)25-18-10-7-4-8-11-18/h4,7-8,10-11,15-16,19-20H,1-3,5-6,9,12-14,17H2,(H,26,29)(H,24,25,27)/t20-/m0/s1