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

Systemtic Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-3-chloranyl-aniline Openeye Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-3-chloro-aniline CAS Name: N-[(1S,2S)-2-(1-benzotriazolyl)-1-phenylbut-3-enyl]-3-chloroaniline IUPAC Name: N-[(1S,2S)-2-(benzotriazol-1-yl)-1-phenylbut-3-enyl]-3-chloroaniline Traditional Name: [(1S,2S)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-(3-chlorophenyl)amine Formula: C22H19ClN4 MolecularWeight: 374.86606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN4/c1-2-20(27-21-14-7-6-13-19(21)25-26-27)22(16-9-4-3-5-10-16)24-18-12-8-11-17(23)15-18/h2-15,20,22,24H,1H2/t20-,22-/m0/s1