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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-(4-nitrophenyl)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-(4-nitrophenyl)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-(4-nitrophenyl)acetamide Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])C4=CSC=C4

InChI

InChI=1S/C23H23N3O3S/c27-23(13-17-5-7-21(8-6-17)26(28)29)24-14-22(20-10-12-30-16-20)25-11-9-18-3-1-2-4-19(18)15-25/h1-8,10,12,16,22H,9,11,13-15H2,(H,24,27)