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

Systemtic Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide CAS Name: N-[(1S)-1-(1,3-dimethyl-4-pyrazolyl)ethyl]-5-(5-isoquinolinyloxymethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-(5-isoquinolyloxymethyl)isoxazole-3-carboxamide Formula: C21H21N5O3 MolecularWeight: 391.42314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1=NN(C=C1[C@H](C)NC(=O)C2=NOC(=C2)COC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C21H21N5O3/c1-13(18-11-26(3)24-14(18)2)23-21(27)19-9-16(29-25-19)12-28-20-6-4-5-15-10-22-8-7-17(15)20/h4-11,13H,12H2,1-3H3,(H,23,27)/t13-/m0/s1