(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[(6-pyrrolidin-1-yl-3-pyridyl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[6-(1-pyrrolidinyl)-3-pyridinyl]amino]butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-[(6-pyrrolidin-1-ylpyridin-3-yl)amino]butan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[(6-pyrrolidino-3-pyridyl)carbamoyl]propyl]carbamic acid benzyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CN=C(C=C1)N2CCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CN=C(C=C1)N2CCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O3/c1-16(2)20(25-22(28)29-15-17-8-4-3-5-9-17)21(27)24-18-10-11-19(23-14-18)26-12-6-7-13-26/h3-5,8-11,14,16,20H,6-7,12-13,15H2,1-2H3,(H,24,27)(H,25,28)/t20-/m0/s1