(3S)-1,3-bis(benzotriazol-1-yl)-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: (3S)-1,3-bis(benzotriazol-1-yl)-3-(4-methoxyphenyl)propan-1-one Openeye Name: (3S)-1,3-bis(benzotriazol-1-yl)-3-(4-methoxyphenyl)propan-1-one CAS Name: (3S)-1,3-bis(1-benzotriazolyl)-3-(4-methoxyphenyl)-1-propanone IUPAC Name: (3S)-1,3-bis(benzotriazol-1-yl)-3-(4-methoxyphenyl)propan-1-one Traditional Name: (3S)-1,3-bis(benzotriazol-1-yl)-3-(4-methoxyphenyl)propan-1-one Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CC(=O)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H18N6O2/c1-30-16-12-10-15(11-13-16)21(27-19-8-4-2-6-17(19)23-25-27)14-22(29)28-20-9-5-3-7-18(20)24-26-28/h2-13,21H,14H2,1H3/t21-/m0/s1