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

Systemtic Name: 3-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]benzamide Openeye Name: 3-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]benzamide CAS Name: 3-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]benzamide IUPAC Name: 3-cyano-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]benzamide Traditional Name: 3-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=CC(=C3)C#N)C4=CSC=C4

Isomeric SMILES

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

InChI

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