(3S)-2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[(3-acetyl-2,4,6-trimethyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(3-acetyl-2,4,6-trimethyl-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N2O2 MolecularWeight: 350.45404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)CN2CC3=CC=CC=C3CC2C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)CN2CC3=CC=CC=C3C[C@H]2C(=O)N)C

InChI

InChI=1S/C22H26N2O2/c1-13-9-14(2)21(16(4)25)15(3)19(13)12-24-11-18-8-6-5-7-17(18)10-20(24)22(23)26/h5-9,20H,10-12H2,1-4H3,(H2,23,26)/t20-/m0/s1