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

Systemtic Name: (3R)-N-(4-hexylphenyl)-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-hexylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-hexylphenyl)-2-[oxo-(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-hexylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-hexylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C35H36N2O3 MolecularWeight: 532.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C35H36N2O3/c1-2-3-4-6-12-26-19-21-30(22-20-26)36-34(38)33-24-27-13-9-10-14-29(27)25-37(33)35(39)28-15-11-18-32(23-28)40-31-16-7-5-8-17-31/h5,7-11,13-23,33H,2-4,6,12,24-25H2,1H3,(H,36,38)/t33-/m1/s1