5-[(5,8-dimethyl-6-thiophen-3-yl-isoquinolin-1-yl)methyl]-3-ethyl-4,5-dihydro-1,2-oxazole

Systemtic Name: 5-[(5,8-dimethyl-6-thiophen-3-yl-isoquinolin-1-yl)methyl]-3-ethyl-4,5-dihydro-1,2-oxazole Openeye Name: 5-[[5,8-dimethyl-6-(3-thienyl)-1-isoquinolyl]methyl]-3-ethyl-4,5-dihydroisoxazole CAS Name: 5-[[5,8-dimethyl-6-(3-thiophenyl)-1-isoquinolinyl]methyl]-3-ethyl-4,5-dihydroisoxazole IUPAC Name: 5-[(5,8-dimethyl-6-thiophen-3-ylisoquinolin-1-yl)methyl]-3-ethyl-4,5-dihydro-1,2-oxazole Traditional Name: 5-[[5,8-dimethyl-6-(3-thienyl)-1-isoquinolyl]methyl]-3-ethyl-2-isoxazoline Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NOC(C1)CC2=NC=CC3=C(C(=CC(=C32)C)C4=CSC=C4)C

Isomeric SMILES

CCC1=NOC(C1)CC2=NC=CC3=C(C(=CC(=C32)C)C4=CSC=C4)C

InChI

InChI=1S/C21H22N2OS/c1-4-16-10-17(24-23-16)11-20-21-13(2)9-19(15-6-8-25-12-15)14(3)18(21)5-7-22-20/h5-9,12,17H,4,10-11H2,1-3H3