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

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[(1S)-1-(1-phenyl-4-pyrazolyl)ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[(1S)-1-(1-phenylpyrazol-4-yl)ethyl]isoxazole-3-carboxamide Formula: C25H21N5O3 MolecularWeight: 439.46594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C[C@@H](C1=CN(N=C1)C2=CC=CC=C2)NC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H21N5O3/c1-17(19-14-27-30(15-19)20-7-3-2-4-8-20)28-25(31)23-12-21(33-29-23)16-32-24-9-5-6-18-13-26-11-10-22(18)24/h2-15,17H,16H2,1H3,(H,28,31)/t17-/m0/s1