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

Systemtic Name: (3S)-N-(4-pentylphenyl)-2-(4-propan-2-yloxypyridin-2-yl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-isopropoxypyridine-2-carbonyl)-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[oxo-(4-propan-2-yloxy-2-pyridinyl)methyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-N-(4-pentylphenyl)-2-(4-propan-2-yloxypyridine-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-N-(4-amylphenyl)-2-(4-isopropoxypicolinoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C30H35N3O3 MolecularWeight: 485.6172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-4-5-6-9-22-12-14-25(15-13-22)32-29(34)28-18-23-10-7-8-11-24(23)20-33(28)30(35)27-19-26(16-17-31-27)36-21(2)3/h7-8,10-17,19,21,28H,4-6,9,18,20H2,1-3H3,(H,32,34)/t28-/m0/s1