2-(benzotriazol-1-yl)-N-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]ethanamide

Systemtic Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)ethylideneamino]ethanamide Openeye Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)ethylideneamino]acetamide CAS Name: 2-(1-benzotriazolyl)-N-[(Z)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]ethylideneamino]acetamide IUPAC Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]acetamide Traditional Name: 2-(benzotriazol-1-yl)-N-[(Z)-1-(3-fluoro-4-pyrrolidino-phenyl)ethylideneamino]acetamide Formula: C20H21FN6O MolecularWeight: 380.418743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CN1C2=CC=CC=C2N=N1)C3=CC(=C(C=C3)N4CCCC4)F

Isomeric SMILES

C/C(=N/NC(=O)CN1C2=CC=CC=C2N=N1)/C3=CC(=C(C=C3)N4CCCC4)F

InChI

InChI=1S/C20H21FN6O/c1-14(15-8-9-18(16(21)12-15)26-10-4-5-11-26)22-24-20(28)13-27-19-7-3-2-6-17(19)23-25-27/h2-3,6-9,12H,4-5,10-11,13H2,1H3,(H,24,28)/b22-14-