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

Systemtic Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-2-chloranyl-aniline Openeye Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-2-chloro-aniline CAS Name: N-[(1S,2R)-2-(1-benzotriazolyl)-1-phenylbut-3-enyl]-2-chloroaniline IUPAC Name: N-[(1S,2R)-2-(benzotriazol-1-yl)-1-phenylbut-3-enyl]-2-chloroaniline Traditional Name: [(1S,2R)-2-(benzotriazol-1-yl)-1-phenyl-but-3-enyl]-(2-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=C2Cl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C=C[C@H]([C@H](C1=CC=CC=C1)NC2=CC=CC=C2Cl)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19ClN4/c1-2-20(27-21-15-9-8-14-19(21)25-26-27)22(16-10-4-3-5-11-16)24-18-13-7-6-12-17(18)23/h2-15,20,22,24H,1H2/t20-,22+/m1/s1