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

Systemtic Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-pyridin-3-yl-but-3-enyl]-4-chloranyl-aniline Openeye Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-(3-pyridyl)but-3-enyl]-4-chloro-aniline CAS Name: N-[(1S,2S)-2-(1-benzotriazolyl)-1-(3-pyridinyl)but-3-enyl]-4-chloroaniline IUPAC Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-pyridin-3-ylbut-3-enyl]-4-chloroaniline Traditional Name: [(1S,2S)-2-(benzotriazol-1-yl)-1-(3-pyridyl)but-3-enyl]-(4-chlorophenyl)amine Formula: C21H18ClN5 MolecularWeight: 375.85412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN5/c1-2-19(27-20-8-4-3-7-18(20)25-26-27)21(15-6-5-13-23-14-15)24-17-11-9-16(22)10-12-17/h2-14,19,21,24H,1H2/t19-,21-/m0/s1