(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

Systemtic Name: (3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Openeye Name: (3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide CAS Name: (3R)-N-(4-acetamidophenyl)-1-(4,6-dimethyl-2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide Traditional Name: (3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)nipecotamide Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2CCCC(C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2CCC[C@H](C2)C(=O)NC3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C20H25N5O2/c1-13-11-14(2)22-20(21-13)25-10-4-5-16(12-25)19(27)24-18-8-6-17(7-9-18)23-15(3)26/h6-9,11,16H,4-5,10,12H2,1-3H3,(H,23,26)(H,24,27)/t16-/m1/s1