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

Systemtic Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-nitro-benzamide Formula: C23H22N4O3 MolecularWeight: 402.44578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N4O3/c28-23(18-7-3-9-21(13-18)27(29)30)25-15-22(19-8-4-11-24-14-19)26-12-10-17-5-1-2-6-20(17)16-26/h1-9,11,13-14,22H,10,12,15-16H2,(H,25,28)/t22-/m0/s1