[5-(cyclopropylcarbamoyl)-2-adamantyl] (3R)-3-[(5-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate

Systemtic Name: [5-(cyclopropylcarbamoyl)-2-adamantyl] (3R)-3-[(5-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate Openeye Name: [5-(cyclopropylcarbamoyl)-2-adamantyl] (3R)-3-[(5-cyano-2-pyridyl)amino]pyrrolidine-1-carboxylate CAS Name: (3R)-3-[(5-cyano-2-pyridinyl)amino]-1-pyrrolidinecarboxylic acid [5-[(cyclopropylamino)-oxomethyl]-2-adamantyl] ester IUPAC Name: [5-(cyclopropylcarbamoyl)-2-adamantyl] (3R)-3-[(5-cyanopyridin-2-yl)amino]pyrrolidine-1-carboxylate Traditional Name: (3R)-3-[(5-cyano-2-pyridyl)amino]pyrrolidine-1-carboxylic acid [5-(cyclopropylcarbamoyl)-2-adamantyl] ester Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C23CC4CC(C2)C(C(C4)C3)OC(=O)N5CCC(C5)NC6=NC=C(C=C6)C#N

Isomeric SMILES

C1CN(C[C@@H]1NC2=NC=C(C=C2)C#N)C(=O)OC3C4CC5CC3CC(C5)(C4)C(=O)NC6CC6

InChI

InChI=1S/C25H31N5O3/c26-12-15-1-4-21(27-13-15)28-20-5-6-30(14-20)24(32)33-22-17-7-16-8-18(22)11-25(9-16,10-17)23(31)29-19-2-3-19/h1,4,13,16-20,22H,2-3,5-11,14H2,(H,27,28)(H,29,31)/t16?,17?,18?,20-,22?,25?/m1/s1