(3S)-2-hexanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-hexanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-hexanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-(1-oxohexyl)-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-hexanoyl-N-(2,4,6-trimethylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-caproyl-N-mesityl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCCCC(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C25H32N2O2/c1-5-6-7-12-23(28)27-16-21-11-9-8-10-20(21)15-22(27)25(29)26-24-18(3)13-17(2)14-19(24)4/h8-11,13-14,22H,5-7,12,15-16H2,1-4H3,(H,26,29)/t22-/m0/s1