2-[(3-chlorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one

Systemtic Name: 2-[(3-chlorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Openeye Name: 2-[(3-chlorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one CAS Name: 2-[(3-chlorophenyl)methyl]-7-(3-phenylprop-1-ynyl)-3-isoquinolinone IUPAC Name: 2-[(3-chlorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Traditional Name: 2-(3-chlorobenzyl)-7-(3-phenylprop-1-ynyl)-3-isoquinolone Formula: C25H18ClNO MolecularWeight: 383.86952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H18ClNO/c26-24-11-5-10-21(15-24)17-27-18-23-14-20(12-13-22(23)16-25(27)28)9-4-8-19-6-2-1-3-7-19/h1-3,5-7,10-16,18H,8,17H2