N-(5-cyanopyridin-2-yl)-2-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]amino]ethanamide

Systemtic Name: N-(5-cyanopyridin-2-yl)-2-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]amino]ethanamide Openeye Name: N-(5-cyano-2-pyridyl)-2-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]amino]acetamide CAS Name: N-(5-cyano-2-pyridinyl)-2-[[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]amino]acetamide IUPAC Name: N-(5-cyanopyridin-2-yl)-2-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]amino]acetamide Traditional Name: N-(5-cyano-2-pyridyl)-2-[[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]amino]acetamide Formula: C25H31N7O2 MolecularWeight: 461.55934

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NCC(=O)NC5=NC=C(C=C5)C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NCC(=O)NC5=NC=C(C=C5)C#N)C#N

InChI

InChI=1S/C25H31N7O2/c26-11-17-3-4-21(28-13-17)31-22(33)14-29-24-7-18-6-19(8-24)10-25(9-18,16-24)30-15-23(34)32-5-1-2-20(32)12-27/h3-4,13,18-20,29-30H,1-2,5-10,14-16H2,(H,28,31,33)/t18?,19?,20-,24?,25?/m0/s1