4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide

Systemtic Name: 4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide Openeye Name: 4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide CAS Name: 4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide IUPAC Name: 4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide Traditional Name: 4-[3-(2-chlorophenyl)-3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]benzamide Formula: C25H21ClN2O MolecularWeight: 400.90004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(C#CC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(C#CC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4Cl

InChI

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