2-chloranyl-N-[2-(2-thiophen-3-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(2-thiophen-3-ylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-[1-oxo-2-(3-thiophenyl)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(2-thiophen-3-ylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-[2-(3-thienyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)CC4=CSC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(=O)CC4=CSC=C4

InChI

InChI=1S/C22H19ClN2O2S/c23-20-4-2-1-3-19(20)22(27)24-18-6-5-16-7-9-25(13-17(16)12-18)21(26)11-15-8-10-28-14-15/h1-6,8,10,12,14H,7,9,11,13H2,(H,24,27)