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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H35N3O3/c1-4-5-6-9-22-12-14-26(15-13-22)32-29(34)27-18-23-10-7-8-11-25(23)20-33(27)30(35)24-16-17-31-28(19-24)36-21(2)3/h7-8,10-17,19,21,27H,4-6,9,18,20H2,1-3H3,(H,32,34)/t27-/m0/s1