N-[7-cyano-5-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-oxidanyl-propanamide

Systemtic Name: N-[7-cyano-5-(5-fluoranyl-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-oxidanyl-propanamide Openeye Name: N-[7-cyano-5-(5-fluoro-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-hydroxy-propanamide CAS Name: N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-hydroxypropanamide IUPAC Name: N-[7-cyano-5-(5-fluoro-2-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-hydroxypropanamide Traditional Name: N-[7-cyano-5-(5-fluoro-2-methoxy-phenyl)-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl]-3-hydroxy-propionamide Formula: C21H22FN3O3 MolecularWeight: 383.416083

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=C(C(=C2C1)NC(=O)CCO)C#N)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CN1CCC2=C(C=C(C(=C2C1)NC(=O)CCO)C#N)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H22FN3O3/c1-25-7-5-15-16(17-10-14(22)3-4-19(17)28-2)9-13(11-23)21(18(15)12-25)24-20(27)6-8-26/h3-4,9-10,26H,5-8,12H2,1-2H3,(H,24,27)