3-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]amino]pyrazine-2-carbonitrile

Systemtic Name: 3-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl]amino]pyrazine-2-carbonitrile Openeye Name: 3-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl]amino]pyrazine-2-carbonitrile CAS Name: 3-[[3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl]amino]-2-pyrazinecarbonitrile IUPAC Name: 3-[[3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl]amino]pyrazine-2-carbonitrile Traditional Name: 3-[[3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl]amino]pyrazinonitrile Formula: C22H27N7O MolecularWeight: 405.49608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NC5=NC=CN=C5C#N)C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)NC5=NC=CN=C5C#N)C#N

InChI

InChI=1S/C22H27N7O/c23-11-17-2-1-5-29(17)19(30)13-27-21-7-15-6-16(8-21)10-22(9-15,14-21)28-20-18(12-24)25-3-4-26-20/h3-4,15-17,27H,1-2,5-10,13-14H2,(H,26,28)/t15?,16?,17-,21?,22?/m0/s1