5-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c23-18-5-6-20(26(28)29)19(11-18)22(27)24-12-21(17-8-10-30-14-17)25-9-7-15-3-1-2-4-16(15)13-25/h1-6,8,10-11,14,21H,7,9,12-13H2,(H,24,27)