(3S)-N-(6-pentylpyridin-3-yl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-N-(6-pentylpyridin-3-yl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-N-(6-pentyl-3-pyridyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-(3-phenoxyphenyl)methyl]-N-(6-pentyl-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(6-pentylpyridin-3-yl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(6-amyl-3-pyridyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C33H33N3O3 MolecularWeight: 519.63342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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