(3S)-N-(3-bromophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(3-bromophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(3-bromophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(3-bromophenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(3-bromophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3-bromophenyl)-1-(2-pyrimidyl)nipecotamide Formula: C16H17BrN4O MolecularWeight: 361.23638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H17BrN4O/c17-13-5-1-6-14(10-13)20-15(22)12-4-2-9-21(11-12)16-18-7-3-8-19-16/h1,3,5-8,10,12H,2,4,9,11H2,(H,20,22)/t12-/m0/s1