1-(benzotriazol-1-yl)-3-[4-(4-pentylphenyl)phenyl]propan-1-one

Systemtic Name: 1-(benzotriazol-1-yl)-3-[4-(4-pentylphenyl)phenyl]propan-1-one Openeye Name: 1-(benzotriazol-1-yl)-3-[4-(4-pentylphenyl)phenyl]propan-1-one CAS Name: 1-(1-benzotriazolyl)-3-[4-(4-pentylphenyl)phenyl]-1-propanone IUPAC Name: 1-(benzotriazol-1-yl)-3-[4-(4-pentylphenyl)phenyl]propan-1-one Traditional Name: 3-[4-(4-amylphenyl)phenyl]-1-(benzotriazol-1-yl)propan-1-one Formula: C26H27N3O MolecularWeight: 397.51208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H27N3O/c1-2-3-4-7-20-10-15-22(16-11-20)23-17-12-21(13-18-23)14-19-26(30)29-25-9-6-5-8-24(25)27-28-29/h5-6,8-13,15-18H,2-4,7,14,19H2,1H3