[2-(2-azanylpyrimidin-5-yl)-5,7-dimethyl-quinolin-4-yl]-(azepan-1-yl)methanone

Systemtic Name: [2-(2-azanylpyrimidin-5-yl)-5,7-dimethyl-quinolin-4-yl]-(azepan-1-yl)methanone Openeye Name: [2-(2-aminopyrimidin-5-yl)-5,7-dimethyl-4-quinolyl]-(azepan-1-yl)methanone CAS Name: [2-(2-amino-5-pyrimidinyl)-5,7-dimethyl-4-quinolinyl]-(1-azepanyl)methanone IUPAC Name: [2-(2-aminopyrimidin-5-yl)-5,7-dimethylquinolin-4-yl]-(azepan-1-yl)methanone Traditional Name: [2-(2-aminopyrimidin-5-yl)-5,7-dimethyl-4-quinolyl]-(azepan-1-yl)methanone Formula: C22H25N5O MolecularWeight: 375.4668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=NC2=C1)C3=CN=C(N=C3)N)C(=O)N4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=NC2=C1)C3=CN=C(N=C3)N)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C22H25N5O/c1-14-9-15(2)20-17(21(28)27-7-5-3-4-6-8-27)11-18(26-19(20)10-14)16-12-24-22(23)25-13-16/h9-13H,3-8H2,1-2H3,(H2,23,24,25)