(2S)-N-[4-bromanyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[4-bromanyl-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbonyl-phenyl]-1-pyridin-3-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[4-bromo-2-[[(3S,5R)-3,5-dimethyl-1-piperidinyl]-oxomethyl]phenyl]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[4-bromo-2-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-1-nicotinoyl-pyrrolidine-2-carboxamide Formula: C25H29BrN4O3 MolecularWeight: 513.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)C3CCCN3C(=O)C4=CN=CC=C4)C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)Br)NC(=O)[C@@H]3CCCN3C(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C25H29BrN4O3/c1-16-11-17(2)15-29(14-16)25(33)20-12-19(26)7-8-21(20)28-23(31)22-6-4-10-30(22)24(32)18-5-3-9-27-13-18/h3,5,7-9,12-13,16-17,22H,4,6,10-11,14-15H2,1-2H3,(H,28,31)/t16-,17+,22-/m0/s1