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

Systemtic Name: N-[3-azanyl-4-(4-fluorophenyl)-1-oxidanylidene-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methyl-butanamide Openeye Name: N-[3-amino-4-(4-fluorophenyl)-1-oxo-2-(tetrahydrofuran-2-ylmethyl)-7-isoquinolyl]-3-methyl-butanamide CAS Name: N-[3-amino-4-(4-fluorophenyl)-1-oxo-2-(2-oxolanylmethyl)-7-isoquinolinyl]-3-methylbutanamide IUPAC Name: N-[3-amino-4-(4-fluorophenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]-3-methylbutanamide Traditional Name: N-[3-amino-4-(4-fluorophenyl)-1-keto-2-(tetrahydrofurfuryl)-7-isoquinolyl]-3-methyl-butyramide Formula: C25H28FN3O3 MolecularWeight: 437.506523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O3/c1-15(2)12-22(30)28-18-9-10-20-21(13-18)25(31)29(14-19-4-3-11-32-19)24(27)23(20)16-5-7-17(26)8-6-16/h5-10,13,15,19H,3-4,11-12,14,27H2,1-2H3,(H,28,30)