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

Systemtic Name: N-[(4S)-2,2-dimethyloxan-4-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide CAS Name: N-[(4S)-2,2-dimethyl-4-oxanyl]-2-(5-isoquinolinyloxymethyl)-4-oxazolecarboxamide IUPAC Name: N-[(4S)-2,2-dimethyloxan-4-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-[(4S)-2,2-dimethyltetrahydropyran-4-yl]-2-(5-isoquinolyloxymethyl)oxazole-4-carboxamide Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CCO1)NC(=O)C2=COC(=N2)COC3=CC=CC4=C3C=CN=C4)C

Isomeric SMILES

CC1(C[C@H](CCO1)NC(=O)C2=COC(=N2)COC3=CC=CC4=C3C=CN=C4)C

InChI

InChI=1S/C21H23N3O4/c1-21(2)10-15(7-9-28-21)23-20(25)17-12-27-19(24-17)13-26-18-5-3-4-14-11-22-8-6-16(14)18/h3-6,8,11-12,15H,7,9-10,13H2,1-2H3,(H,23,25)/t15-/m0/s1