(phenylmethyl) N-[3-[(5-cyanopyridin-2-yl)amino]-1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[(5-cyanopyridin-2-yl)amino]-1-(2-cyanopyrrolidin-1-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[1-[[(5-cyano-2-pyridyl)amino]methyl]-2-(2-cyanopyrrolidin-1-yl)-2-oxo-ethyl]carbamate CAS Name: N-[3-[(5-cyano-2-pyridinyl)amino]-1-(2-cyano-1-pyrrolidinyl)-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(5-cyanopyridin-2-yl)amino]-1-(2-cyanopyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[[(5-cyano-2-pyridyl)amino]methyl]-2-(2-cyanopyrrolidino)-2-keto-ethyl]carbamic acid benzyl ester Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CNC2=NC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CNC2=NC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H22N6O3/c23-11-17-8-9-20(25-13-17)26-14-19(21(29)28-10-4-7-18(28)12-24)27-22(30)31-15-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,18-19H,4,7,10,14-15H2,(H,25,26)(H,27,30)