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

Systemtic Name: 2-chloranyl-N-[2-(3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: 2-chloro-N-[2-(3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide CAS Name: 2-chloro-N-[2-(3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Traditional Name: 2-chloro-N-[2-(3-phenylprop-2-ynyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Formula: C25H21ClN2O MolecularWeight: 400.90004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN2O/c26-24-11-5-4-10-23(24)25(29)27-22-13-12-20-14-16-28(18-21(20)17-22)15-6-9-19-7-2-1-3-8-19/h1-5,7-8,10-13,17H,14-16,18H2,(H,27,29)