(3S)-N-[(3,4-dichlorophenyl)methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(3,4-dichlorophenyl)methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-[(3,4-dichlorophenyl)methyl]-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-[(3,4-dichlorophenyl)methyl]-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3,4-dichlorophenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(3,4-dichlorobenzyl)-1-(2-pyrimidyl)nipecotamide Formula: C17H18Cl2N4O MolecularWeight: 365.25702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)C(=O)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H18Cl2N4O/c18-14-5-4-12(9-15(14)19)10-22-16(24)13-3-1-8-23(11-13)17-20-6-2-7-21-17/h2,4-7,9,13H,1,3,8,10-11H2,(H,22,24)/t13-/m0/s1