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

Systemtic Name: 4-chloranyl-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridinyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-pyridyl)ethyl]-3-nitro-benzamide Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN4O3/c24-20-8-7-17(12-21(20)28(30)31)23(29)26-14-22(18-6-3-10-25-13-18)27-11-9-16-4-1-2-5-19(16)15-27/h1-8,10,12-13,22H,9,11,14-15H2,(H,26,29)/t22-/m0/s1