N-[2-chloranyl-4-(7-fluoranyl-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[2-chloranyl-4-(7-fluoranyl-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-phenyl]-3,3-dimethyl-butyramide Formula: C22H26ClFN2O MolecularWeight: 388.906043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)CC(C)(C)C)Cl)N2CCC3=C(C2)C=C(C=C3)F

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)CC(C)(C)C)Cl)N2CCC3=C(C2)C=C(C=C3)F

InChI

InChI=1S/C22H26ClFN2O/c1-14-9-18(11-19(23)21(14)25-20(27)12-22(2,3)4)26-8-7-15-5-6-17(24)10-16(15)13-26/h5-6,9-11H,7-8,12-13H2,1-4H3,(H,25,27)