N-[(1S,2S)-2-(benzotriazol-1-yl)-1-(4-fluorophenyl)but-3-enyl]aniline

Systemtic Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-(4-fluorophenyl)but-3-enyl]aniline Openeye Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-(4-fluorophenyl)but-3-enyl]aniline CAS Name: N-[(1S,2S)-2-(1-benzotriazolyl)-1-(4-fluorophenyl)but-3-enyl]aniline IUPAC Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-(4-fluorophenyl)but-3-enyl]aniline Traditional Name: [(1S,2S)-2-(benzotriazol-1-yl)-1-(4-fluorophenyl)but-3-enyl]-phenyl-amine Formula: C22H19FN4 MolecularWeight: 358.411463

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C(C1=CC=C(C=C1)F)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C=C[C@@H]([C@H](C1=CC=C(C=C1)F)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19FN4/c1-2-20(27-21-11-7-6-10-19(21)25-26-27)22(16-12-14-17(23)15-13-16)24-18-8-4-3-5-9-18/h2-15,20,22,24H,1H2/t20-,22-/m0/s1