Nombre: compound

IUPAC: 1-[(4-butylphenyl)methyl]-7-ethynylisoquinoline

SMILES: C#Cc1ccc2ccnc(Cc3ccc(CCCC)cc3)c2c1

Canonical SMILES: CCCCC1=CC=C(C=C1)CC2=NC=CC3=C2C=C(C=C3)C#C

Fórmula molecular: C22H21N

Masa molecular: 299.40

InChIKey: PQXNWNDWPFIPNH-UHFFFAOYSA-N

InChI: InChI=1S/C22H21N/c1-3-5-6-18-7-9-19(10-8-18)16-22-21-15-17(4-2)11-12-20(21)13-14-23-22/h2,7-15H,3,5-6,16H2,1H3

Sinónimos

SCHEMBL1445444PQXNWNDWPFIPNH-UHFFFAOYSA-N1-(4-butylbenzyl)-7-(1-ethynyl)isoquinoline

Busqueda Extendida