N-[(1-azanyl-8-fluoranyl-isoquinolin-4-yl)methyl]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[(1-azanyl-8-fluoranyl-isoquinolin-4-yl)methyl]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-[(1-amino-8-fluoro-4-isoquinolyl)methyl]-N-(3-chlorophenyl)-4-methyl-thiazole-5-carboxamide CAS Name: N-[(1-amino-8-fluoro-4-isoquinolinyl)methyl]-N-(3-chlorophenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: N-[(1-amino-8-fluoroisoquinolin-4-yl)methyl]-N-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: N-[(1-amino-8-fluoro-4-isoquinolyl)methyl]-N-(3-chlorophenyl)-4-methyl-thiazole-5-carboxamide Formula: C21H16ClFN4OS MolecularWeight: 426.894343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)C(=O)N(CC2=CN=C(C3=C2C=CC=C3F)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(SC=N1)C(=O)N(CC2=CN=C(C3=C2C=CC=C3F)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H16ClFN4OS/c1-12-19(29-11-26-12)21(28)27(15-5-2-4-14(22)8-15)10-13-9-25-20(24)18-16(13)6-3-7-17(18)23/h2-9,11H,10H2,1H3,(H2,24,25)