(3S)-N-(4-pentylphenyl)-2-(4-phenoxypyridin-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(4-pentylphenyl)-2-(4-phenoxypyridin-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(4-pentylphenyl)-2-(4-phenoxypyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-(4-phenoxy-2-pyridinyl)methyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-pentylphenyl)-2-(4-phenoxypyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(4-phenoxypicolinoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=NC=CC(=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)C4=NC=CC(=C4)OC5=CC=CC=C5

InChI

InChI=1S/C33H33N3O3/c1-2-3-5-10-24-15-17-27(18-16-24)35-32(37)31-21-25-11-8-9-12-26(25)23-36(31)33(38)30-22-29(19-20-34-30)39-28-13-6-4-7-14-28/h4,6-9,11-20,22,31H,2-3,5,10,21,23H2,1H3,(H,35,37)/t31-/m0/s1