1-(2-iodanylphenyl)-N-methyl-N-[3-(triphenylmethyl)oxypropyl]isoquinoline-3-carboxamide

Systemtic Name: 1-(2-iodanylphenyl)-N-methyl-N-[3-(triphenylmethyl)oxypropyl]isoquinoline-3-carboxamide Openeye Name: 1-(2-iodophenyl)-N-methyl-N-(3-trityloxypropyl)isoquinoline-3-carboxamide CAS Name: 1-(2-iodophenyl)-N-methyl-N-[3-(triphenylmethyl)oxypropyl]-3-isoquinolinecarboxamide IUPAC Name: 1-(2-iodophenyl)-N-methyl-N-(3-trityloxypropyl)isoquinoline-3-carboxamide Traditional Name: 1-(2-iodophenyl)-N-methyl-N-(3-trityloxypropyl)isoquinoline-3-carboxamide Formula: C39H33IN2O2 MolecularWeight: 688.59599

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=N4)C6=CC=CC=C6I

Isomeric SMILES

CN(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC5=CC=CC=C5C(=N4)C6=CC=CC=C6I

InChI

InChI=1S/C39H33IN2O2/c1-42(38(43)36-28-29-16-11-12-23-33(29)37(41-36)34-24-13-14-25-35(34)40)26-15-27-44-39(30-17-5-2-6-18-30,31-19-7-3-8-20-31)32-21-9-4-10-22-32/h2-14,16-25,28H,15,26-27H2,1H3