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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-4-nitro-benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-nitro-benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-4-nitrobenzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-4-nitrobenzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-4-nitro-benzamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c26-22(17-5-7-20(8-6-17)25(27)28)23-13-21(19-10-12-29-15-19)24-11-9-16-3-1-2-4-18(16)14-24/h1-8,10,12,15,21H,9,11,13-14H2,(H,23,26)