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

Systemtic Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-2-phenyl-1-butanone IUPAC Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[5-(1,3-benzodioxol-5-yl)-3-ethoxy-1,2,4-triazol-1-yl]-2-phenyl-butan-1-one Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O4/c1-3-16(14-8-6-5-7-9-14)20(25)24-19(22-21(23-24)26-4-2)15-10-11-17-18(12-15)28-13-27-17/h5-12,16H,3-4,13H2,1-2H3