(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-methyl-2-oxo-2-[(1-pyrimidin-2-yl-3-piperidyl)methylamino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-1-[[1-(2-pyrimidinyl)-3-piperidinyl]methylamino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-oxo-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[1-(2-pyrimidyl)-3-piperidyl]methylamino]ethyl]carbamic acid benzyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCN(C1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCN(C1)C2=NC=CC=N2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3/c1-16(25-21(28)29-15-17-7-3-2-4-8-17)19(27)24-13-18-9-5-12-26(14-18)20-22-10-6-11-23-20/h2-4,6-8,10-11,16,18H,5,9,12-15H2,1H3,(H,24,27)(H,25,28)/t16-,18?/m0/s1