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

Systemtic Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-pyridin-3-yl-but-3-enyl]aniline Openeye Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-(3-pyridyl)but-3-enyl]aniline CAS Name: N-[(1S,2R)-2-(1-benzotriazolyl)-1-(3-pyridinyl)but-3-enyl]aniline IUPAC Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-pyridin-3-ylbut-3-enyl]aniline Traditional Name: [(1S,2R)-2-(benzotriazol-1-yl)-1-(3-pyridyl)but-3-enyl]-phenyl-amine Formula: C21H19N5 MolecularWeight: 341.40906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5/c1-2-19(26-20-13-7-6-12-18(20)24-25-26)21(16-9-8-14-22-15-16)23-17-10-4-3-5-11-17/h2-15,19,21,23H,1H2/t19-,21+/m1/s1