2-[(4-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide

Systemtic Name: 2-[(4-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-[(4-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-[(4-chlorophenyl)methyl]-N-[(1S)-1-(4-pyrimidinyl)ethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-[(4-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-(4-chlorobenzyl)-N-[(1S)-1-(4-pyrimidyl)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-13(17-8-9-23-12-24-17)25-21(27)15-4-7-19-18(11-15)26-20(28-19)10-14-2-5-16(22)6-3-14/h2-9,11-13H,10H2,1H3,(H,25,27)/t13-/m0/s1