N-[2-[(2-azanylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)ethanamide

Systemtic Name: N-[2-[(2-azanylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)ethanamide Openeye Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)acetamide CAS Name: N-[2-[(2-amino-5-pyrimidinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)acetamide IUPAC Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)acetamide Traditional Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2-fluorophenyl)acetamide Formula: C22H22FN5O MolecularWeight: 391.441383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3F)CC4=CN=C(N=C4)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=CC=C3F)CC4=CN=C(N=C4)N

InChI

InChI=1S/C22H22FN5O/c23-20-4-2-1-3-17(20)10-21(29)27-19-6-5-16-7-8-28(14-18(16)9-19)13-15-11-25-22(24)26-12-15/h1-6,9,11-12H,7-8,10,13-14H2,(H,27,29)(H2,24,25,26)