N-[3-azanyl-4-(2-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]ethanamide

Systemtic Name: N-[3-azanyl-4-(2-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]ethanamide Openeye Name: N-[3-amino-4-(2-fluorophenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]acetamide CAS Name: N-[3-amino-4-(2-fluorophenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]acetamide IUPAC Name: N-[3-amino-4-(2-fluorophenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]acetamide Traditional Name: N-[3-amino-4-(2-fluorophenyl)-1-keto-2-(tetrahydrofurfuryl)-7-isoquinolyl]acetamide Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC=CC=C4F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=C(N(C2=O)CC3CCCO3)N)C4=CC=CC=C4F

InChI

InChI=1S/C22H22FN3O3/c1-13(27)25-14-8-9-16-18(11-14)22(28)26(12-15-5-4-10-29-15)21(24)20(16)17-6-2-3-7-19(17)23/h2-3,6-9,11,15H,4-5,10,12,24H2,1H3,(H,25,27)