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

Systemtic Name: 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide CAS Name: 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzamide Traditional Name: 4-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)C#N)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)C3=CC=C(C=C3)C#N)C4=CSC=C4

InChI

InChI=1S/C23H21N3OS/c24-13-17-5-7-19(8-6-17)23(27)25-14-22(21-10-12-28-16-21)26-11-9-18-3-1-2-4-20(18)15-26/h1-8,10,12,16,22H,9,11,14-15H2,(H,25,27)