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

Systemtic Name: N-[3-azanyl-4-(3-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide Openeye Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]propanamide CAS Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]propanamide IUPAC Name: N-[3-amino-4-(3-fluorophenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide Traditional Name: N-[3-amino-4-(3-fluorophenyl)-1-keto-2-(tetrahydrofurfuryl)-7-isoquinolyl]propionamide Formula: C23H24FN3O3 MolecularWeight: 409.453363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O3/c1-2-20(28)26-16-8-9-18-19(12-16)23(29)27(13-17-7-4-10-30-17)22(25)21(18)14-5-3-6-15(24)11-14/h3,5-6,8-9,11-12,17H,2,4,7,10,13,25H2,1H3,(H,26,28)