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

Systemtic Name: 2-phenethyl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide Openeye Name: 2-phenethyl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide CAS Name: 2-phenethyl-N-[(1S)-1-(4-pyrimidinyl)ethyl]-1,3-benzoxazole-5-carboxamide IUPAC Name: 2-phenethyl-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-5-carboxamide Traditional Name: 2-phenethyl-N-[(1S)-1-(4-pyrimidyl)ethyl]-1,3-benzoxazole-5-carboxamide Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)OC(=N3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2/c1-15(18-11-12-23-14-24-18)25-22(27)17-8-9-20-19(13-17)26-21(28-20)10-7-16-5-3-2-4-6-16/h2-6,8-9,11-15H,7,10H2,1H3,(H,25,27)/t15-/m0/s1