N-tert-butyl-2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-tert-butyl-2-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-tert-butyl-2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-tert-butyl-2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-tert-butyl-2-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-tert-butyl-2-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H29ClN2O3 MolecularWeight: 416.94096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1CC(COC3=CC=C(C=C3)Cl)O

Isomeric SMILES

CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1CC(COC3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C23H29ClN2O3/c1-23(2,3)25-22(28)21-12-16-6-4-5-7-17(16)13-26(21)14-19(27)15-29-20-10-8-18(24)9-11-20/h4-11,19,21,27H,12-15H2,1-3H3,(H,25,28)