5-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-methyl-N-[(1S)-1-(4-methylthiazol-2-yl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-methyl-N-[(1S)-1-(4-methyl-2-thiazolyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-methyl-N-[(1S)-1-(4-methylthiazol-2-yl)ethyl]isoxazole-3-carboxamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C)N(C)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CSC(=N1)[C@H](C)N(C)C(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H20N4O3S/c1-13-12-29-20(23-13)14(2)25(3)21(26)18-9-16(28-24-18)11-27-19-6-4-5-15-10-22-8-7-17(15)19/h4-10,12,14H,11H2,1-3H3/t14-/m0/s1