5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-yl-ethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-yl-ethyl)-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-(1-phenyl-2-pyrazol-1-yl-ethyl)isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[1-phenyl-2-(1-pyrazolyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-(1-phenyl-2-pyrazol-1-yl-ethyl)isoxazole-3-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CN2C=CC=N2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1=CC=C(C=C1)C(CN2C=CC=N2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H21N5O3/c31-25(28-23(16-30-13-5-11-27-30)18-6-2-1-3-7-18)22-14-20(33-29-22)17-32-24-9-4-8-19-15-26-12-10-21(19)24/h1-15,23H,16-17H2,(H,28,31)