N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]pentanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]pentanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]pentanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]pentanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]pentanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]valeramide Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCCCC(=O)NCC(C1=CSC=C1)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H26N2OS/c1-2-3-8-20(23)21-13-19(18-10-12-24-15-18)22-11-9-16-6-4-5-7-17(16)14-22/h4-7,10,12,15,19H,2-3,8-9,11,13-14H2,1H3,(H,21,23)