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

Systemtic Name: tert-butyl N-[(2S)-1-oxidanylidene-3-phenyl-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-oxo-2-[(1-pyrimidin-2-yl-3-piperidyl)methylamino]ethyl]carbamate CAS Name: N-[(2S)-1-oxo-3-phenyl-1-[[1-(2-pyrimidinyl)-3-piperidinyl]methylamino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-oxo-3-phenyl-1-[(1-pyrimidin-2-ylpiperidin-3-yl)methylamino]propan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[[1-(2-pyrimidyl)-3-piperidyl]methylamino]ethyl]carbamic acid tert-butyl ester Formula: C24H33N5O3 MolecularWeight: 439.55052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C24H33N5O3/c1-24(2,3)32-23(31)28-20(15-18-9-5-4-6-10-18)21(30)27-16-19-11-7-14-29(17-19)22-25-12-8-13-26-22/h4-6,8-10,12-13,19-20H,7,11,14-17H2,1-3H3,(H,27,30)(H,28,31)/t19?,20-/m0/s1