(phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[4-(4-pyridyl)piperazine-1-carbonyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-4-yl-1-piperazinyl)butan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-4-ylpiperazin-1-yl)butan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-[4-(4-pyridyl)piperazine-1-carbonyl]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)N1CCN(CC1)C2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C2=CC=NC=C2)NC(=O)OCC3=CC=CC=C3

InChI

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