(3R)-N-[4-(4-methylpentyl)phenyl]-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-[4-(4-methylpentyl)phenyl]-2-(3-phenoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-isohexylphenyl)-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-[4-(4-methylpentyl)phenyl]-2-[oxo-(3-phenoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-[4-(4-methylpentyl)phenyl]-2-(3-phenoxybenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-isohexylphenyl)-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:

CC(C)CCCC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C)CCCC1=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/c1-25(2)10-8-11-26-18-20-30(21-19-26)36-34(38)33-23-27-12-6-7-13-29(27)24-37(33)35(39)28-14-9-17-32(22-28)40-31-15-4-3-5-16-31/h3-7,9,12-22,25,33H,8,10-11,23-24H2,1-2H3,(H,36,38)/t33-/m1/s1