N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-8-nitro-isoquinolin-5-amine

Systemtic Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-8-nitro-isoquinolin-5-amine Openeye Name: N-[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-8-nitro-isoquinolin-5-amine CAS Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-8-nitro-5-isoquinolinamine IUPAC Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-8-nitroisoquinolin-5-amine Traditional Name: [(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-(8-nitro-5-isoquinolyl)amine Formula: C23H18N4O2S MolecularWeight: 414.47962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C5=CC=CS5

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@H](CNC3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-])C5=CC=CS5

InChI

InChI=1S/C23H18N4O2S/c28-27(29)22-8-7-21(16-9-10-24-12-18(16)22)26-14-19(23-6-3-11-30-23)17-13-25-20-5-2-1-4-15(17)20/h1-13,19,25-26H,14H2/t19-/m0/s1