(3S)-N-(4-acetamidophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(4-acetamidophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide Openeye Name: (3S)-N-(4-acetamidophenyl)-1-pyrimidin-2-yl-piperidine-3-carboxamide CAS Name: (3S)-N-(4-acetamidophenyl)-1-(2-pyrimidinyl)-3-piperidinecarboxamide IUPAC Name: (3S)-N-(4-acetamidophenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide Traditional Name: (3S)-N-(4-acetamidophenyl)-1-(2-pyrimidyl)nipecotamide Formula: C18H21N5O2 MolecularWeight: 339.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C18H21N5O2/c1-13(24)21-15-5-7-16(8-6-15)22-17(25)14-4-2-11-23(12-14)18-19-9-3-10-20-18/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1