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

Systemtic Name: (phenylmethyl) N-[(2R)-1-oxidanylidene-3-phenyl-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-1-benzyl-2-oxo-2-[(1-pyrimidin-2-yl-3-piperidyl)methylamino]ethyl]carbamate CAS Name: N-[(2R)-1-oxo-3-phenyl-1-[[1-(2-pyrimidinyl)-3-piperidinyl]methylamino]propan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-1-oxo-3-phenyl-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Traditional Name: N-[(1R)-1-benzyl-2-keto-2-[[1-(2-pyrimidyl)-3-piperidyl]methylamino]ethyl]carbamic acid benzyl ester Formula: C27H31N5O3 MolecularWeight: 473.56674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)CNC(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)C2=NC=CC=N2)CNC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O3/c33-25(30-18-23-13-7-16-32(19-23)26-28-14-8-15-29-26)24(17-21-9-3-1-4-10-21)31-27(34)35-20-22-11-5-2-6-12-22/h1-6,8-12,14-15,23-24H,7,13,16-20H2,(H,30,33)(H,31,34)/t23?,24-/m1/s1