5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethyl-pent-4-ynamide

Systemtic Name: 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethyl-pent-4-ynamide Openeye Name: 5-[4-(1-isoquinolylmethyl)phenyl]-N,N-dimethyl-pent-4-ynamide CAS Name: 5-[4-(1-isoquinolinylmethyl)phenyl]-N,N-dimethyl-4-pentynamide IUPAC Name: 5-[4-(isoquinolin-1-ylmethyl)phenyl]-N,N-dimethylpent-4-ynamide Traditional Name: 5-[4-(1-isoquinolylmethyl)phenyl]-N,N-dimethyl-pent-4-ynamide Formula: C23H22N2O MolecularWeight: 342.43358

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

Isomeric SMILES

CN(C)C(=O)CCC#CC1=CC=C(C=C1)CC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C23H22N2O/c1-25(2)23(26)10-6-3-7-18-11-13-19(14-12-18)17-22-21-9-5-4-8-20(21)15-16-24-22/h4-5,8-9,11-16H,6,10,17H2,1-2H3