(E,3R,4S)-4-(benzotriazol-1-yl)-6-chloranyl-1,3-diphenyl-hex-5-en-1-one

Systemtic Name: (E,3R,4S)-4-(benzotriazol-1-yl)-6-chloranyl-1,3-diphenyl-hex-5-en-1-one Openeye Name: (E,3R,4S)-4-(benzotriazol-1-yl)-6-chloro-1,3-diphenyl-hex-5-en-1-one CAS Name: (E,3R,4S)-4-(1-benzotriazolyl)-6-chloro-1,3-diphenyl-5-hexen-1-one IUPAC Name: (E,3R,4S)-4-(benzotriazol-1-yl)-6-chloro-1,3-diphenylhex-5-en-1-one Traditional Name: (E,3R,4S)-4-(benzotriazol-1-yl)-6-chloro-1,3-diphenyl-hex-5-en-1-one Formula: C24H20ClN3O MolecularWeight: 401.8881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C=CCl)N3C4=CC=CC=C4N=N3

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O/c25-16-15-22(28-23-14-8-7-13-21(23)26-27-28)20(18-9-3-1-4-10-18)17-24(29)19-11-5-2-6-12-19/h1-16,20,22H,17H2/b16-15+/t20-,22-/m1/s1