(3R)-N-butyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-butyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxy-phenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxyphenyl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-butyl-2-(5-chloro-2-hydroxy-benzyl)-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27ClN2O2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)C1CC2=CC=CC=C2CN1CC3=C(C=CC(=C3)Cl)O

Isomeric SMILES

CCCCN(C)C(=O)[C@H]1CC2=CC=CC=C2CN1CC3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C22H27ClN2O2/c1-3-4-11-24(2)22(27)20-13-16-7-5-6-8-17(16)14-25(20)15-18-12-19(23)9-10-21(18)26/h5-10,12,20,26H,3-4,11,13-15H2,1-2H3/t20-/m1/s1