2-[(3-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-6-carboxamide

Systemtic Name: 2-[(3-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methyl]-N-[(1S)-1-(4-pyrimidinyl)ethyl]-1,3-benzoxazole-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methyl]-N-[(1S)-1-pyrimidin-4-ylethyl]-1,3-benzoxazole-6-carboxamide Traditional Name: 2-(3-chlorobenzyl)-N-[(1S)-1-(4-pyrimidyl)ethyl]-1,3-benzoxazole-6-carboxamide Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C[C@@H](C1=NC=NC=C1)NC(=O)C2=CC3=C(C=C2)N=C(O3)CC4=CC(=CC=C4)Cl

InChI

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