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

Systemtic Name: (3R)-N-butyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxy-phenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-butyl-2-[(5-chloro-2-hydroxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-butyl-2-(5-chloro-2-hydroxy-benzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H25ClN2O2 MolecularWeight: 372.8884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2/c1-2-3-10-23-21(26)19-12-15-6-4-5-7-16(15)13-24(19)14-17-11-18(22)8-9-20(17)25/h4-9,11,19,25H,2-3,10,12-14H2,1H3,(H,23,26)/t19-/m1/s1