(3S,4S)-4-(benzotriazol-1-yl)-3-(4-methoxyphenyl)-1-phenyl-hex-5-en-1-one

Systemtic Name: (3S,4S)-4-(benzotriazol-1-yl)-3-(4-methoxyphenyl)-1-phenyl-hex-5-en-1-one Openeye Name: (3S,4S)-4-(benzotriazol-1-yl)-3-(4-methoxyphenyl)-1-phenyl-hex-5-en-1-one CAS Name: (3S,4S)-4-(1-benzotriazolyl)-3-(4-methoxyphenyl)-1-phenyl-5-hexen-1-one IUPAC Name: (3S,4S)-4-(benzotriazol-1-yl)-3-(4-methoxyphenyl)-1-phenylhex-5-en-1-one Traditional Name: (3S,4S)-4-(benzotriazol-1-yl)-3-(4-methoxyphenyl)-1-phenyl-hex-5-en-1-one Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C=C)N3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=CC=C2)[C@H](C=C)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C25H23N3O2/c1-3-23(28-24-12-8-7-11-22(24)26-27-28)21(18-13-15-20(30-2)16-14-18)17-25(29)19-9-5-4-6-10-19/h3-16,21,23H,1,17H2,2H3/t21-,23-/m0/s1