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

Systemtic Name: N-[2-[(2-azanylpyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide CAS Name: N-[2-[(2-amino-5-pyrimidinyl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-[2-[(2-aminopyrimidin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-4-(trifluoromethyl)benzamide Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CN=C(N=C4)N

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)CC4=CN=C(N=C4)N

InChI

InChI=1S/C22H20F3N5O/c23-22(24,25)18-4-1-16(2-5-18)20(31)29-19-6-3-15-7-8-30(13-17(15)9-19)12-14-10-27-21(26)28-11-14/h1-6,9-11H,7-8,12-13H2,(H,29,31)(H2,26,27,28)