N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-phenoxy-benzamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-phenoxy-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-phenoxy-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-phenoxybenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-phenoxybenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-phenoxy-benzamide Formula: C28H26N2O2S MolecularWeight: 454.58324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=CC=C3OC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C28H26N2O2S/c31-28(25-12-6-7-13-27(25)32-24-10-2-1-3-11-24)29-18-26(23-15-17-33-20-23)30-16-14-21-8-4-5-9-22(21)19-30/h1-13,15,17,20,26H,14,16,18-19H2,(H,29,31)