1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[3-butoxy-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C(CC)C3=CC=CC=C3

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C(CC)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O5/c1-6-8-14-33-25-26-23(18-15-20(30-3)22(32-5)21(16-18)31-4)28(27-25)24(29)19(7-2)17-12-10-9-11-13-17/h9-13,15-16,19H,6-8,14H2,1-5H3