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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-phenyl-butanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-phenyl-butanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-phenylbutanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-phenylbutanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-phenyl-butyramide Formula: C25H28N2OS MolecularWeight: 404.56762

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)CCCC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)CCCC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C25H28N2OS/c28-25(12-6-9-20-7-2-1-3-8-20)26-17-24(23-14-16-29-19-23)27-15-13-21-10-4-5-11-22(21)18-27/h1-5,7-8,10-11,14,16,19,24H,6,9,12-13,15,17-18H2,(H,26,28)