(phenylmethyl) N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[1-[[3-cyano-1-(phenylmethyl)pyrrolidin-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[1-[[3-cyano-1-(phenylmethyl)-3-pyrrolidinyl]amino]-4-methyl-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(1-benzyl-3-cyanopyrrolidin-3-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[1-[(1-benzyl-3-cyano-pyrrolidin-3-yl)carbamoyl]-3-methyl-butyl]carbamic acid benzyl ester Formula: C26H32N4O3 MolecularWeight: 448.55728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1(CCN(C1)CC2=CC=CC=C2)C#N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC(C(=O)NC1(CCN(C1)CC2=CC=CC=C2)C#N)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N4O3/c1-20(2)15-23(28-25(32)33-17-22-11-7-4-8-12-22)24(31)29-26(18-27)13-14-30(19-26)16-21-9-5-3-6-10-21/h3-12,20,23H,13-17,19H2,1-2H3,(H,28,32)(H,29,31)