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

Systemtic Name: 4-chloranyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-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=CC(=C(C=C3)Cl)[N+](=O)[O-])C4=CSC=C4

Isomeric SMILES

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

InChI

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