N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-9H-xanthene-9-carboxamide Formula: C29H26N2O2S MolecularWeight: 466.59394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C6=CSC=C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C6=CSC=C6

InChI

InChI=1S/C29H26N2O2S/c32-29(28-23-9-3-5-11-26(23)33-27-12-6-4-10-24(27)28)30-17-25(22-14-16-34-19-22)31-15-13-20-7-1-2-8-21(20)18-31/h1-12,14,16,19,25,28H,13,15,17-18H2,(H,30,32)