(3R)-N-(4-pentylphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-pentylphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-pentylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[oxo-(3-phenoxyphenyl)methyl]-N-(4-pentylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-pentylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-amylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C34H34N2O3 MolecularWeight: 518.64536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H34N2O3/c1-2-3-5-11-25-18-20-29(21-19-25)35-33(37)32-23-26-12-8-9-13-28(26)24-36(32)34(38)27-14-10-17-31(22-27)39-30-15-6-4-7-16-30/h4,6-10,12-22,32H,2-3,5,11,23-24H2,1H3,(H,35,37)/t32-/m1/s1