(2S)-3-(4-chlorophenyl)-N1-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine

Systemtic Name: (2S)-3-(4-chlorophenyl)-N1-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine Openeye Name: (2S)-3-(4-chlorophenyl)-N1-[3-(6-isoquinolyl)isoxazol-5-yl]propane-1,2-diamine CAS Name: (2S)-3-(4-chlorophenyl)-N1-[3-(6-isoquinolinyl)-5-isoxazolyl]propane-1,2-diamine IUPAC Name: (2S)-3-(4-chlorophenyl)-1-N-(3-isoquinolin-6-yl-1,2-oxazol-5-yl)propane-1,2-diamine Traditional Name: [(2S)-2-amino-3-(4-chlorophenyl)propyl]-[3-(6-isoquinolyl)isoxazol-5-yl]amine Formula: C21H19ClN4O MolecularWeight: 378.85476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(CNC2=CC(=NO2)C3=CC4=C(C=C3)C=NC=C4)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](CNC2=CC(=NO2)C3=CC4=C(C=C3)C=NC=C4)N)Cl

InChI

InChI=1S/C21H19ClN4O/c22-18-5-1-14(2-6-18)9-19(23)13-25-21-11-20(26-27-21)16-3-4-17-12-24-8-7-15(17)10-16/h1-8,10-12,19,25H,9,13,23H2/t19-/m0/s1