(phenylmethyl) N-[1-(2-cyanopyrazolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-(2-cyanopyrazolidin-1-yl)-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-(2-cyanopyrazolidine-1-carbonyl)-2-methyl-propyl]carbamate CAS Name: N-[1-(2-cyano-1-pyrazolidinyl)-3-methyl-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-(2-cyanopyrazolidin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-(2-cyanopyrazolidine-1-carbonyl)-2-methyl-propyl]carbamic acid benzyl ester Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCN1C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)N1CCCN1C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O3/c1-13(2)15(16(22)21-10-6-9-20(21)12-18)19-17(23)24-11-14-7-4-3-5-8-14/h3-5,7-8,13,15H,6,9-11H2,1-2H3,(H,19,23)