N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-phenyl]-3,3-dimethyl-butanamide CAS Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylphenyl]-3,3-dimethylbutanamide IUPAC Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-phenyl]-3,3-dimethyl-butyramide Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2CCC3=CC=CC=C3C2)NC(=O)CC(C)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2CCC3=CC=CC=C3C2)NC(=O)CC(C)(C)C

InChI

InChI=1S/C22H28N2O/c1-16-9-10-19(13-20(16)23-21(25)14-22(2,3)4)24-12-11-17-7-5-6-8-18(17)15-24/h5-10,13H,11-12,14-15H2,1-4H3,(H,23,25)