(2S)-1-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]carbonylpyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[1-(4-phenylazanylpyrimidin-2-yl)piperidin-4-yl]carbonylpyrrolidine-2-carboxamide Openeye Name: (2S)-1-[1-(4-anilinopyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[1-(4-anilino-2-pyrimidinyl)-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[1-(4-anilinopyrimidin-2-yl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[1-(4-anilinopyrimidin-2-yl)isonipecotoyl]pyrrolidine-2-carboxamide Formula: C21H26N6O2 MolecularWeight: 394.47014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2CCN(CC2)C3=NC=CC(=N3)NC4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C21H26N6O2/c22-19(28)17-7-4-12-27(17)20(29)15-9-13-26(14-10-15)21-23-11-8-18(25-21)24-16-5-2-1-3-6-16/h1-3,5-6,8,11,15,17H,4,7,9-10,12-14H2,(H2,22,28)(H,23,24,25)/t17-/m0/s1