(E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide

Systemtic Name: (E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide Openeye Name: (E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide CAS Name: (E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]-2-propenamide IUPAC Name: (E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]prop-2-enamide Traditional Name: (E)-3-(4-pent-2-ynoxyphenyl)-N-[3-(2H-tetrazol-5-yl)-2,3-dihydro-1,4-benzodioxin-5-yl]acrylamide Formula: C23H21N5O4 MolecularWeight: 431.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CCOC1=CC=C(C=C1)C=CC(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

Isomeric SMILES

CCC#CCOC1=CC=C(C=C1)/C=C/C(=O)NC2=C3C(=CC=C2)OCC(O3)C4=NNN=N4

InChI

InChI=1S/C23H21N5O4/c1-2-3-4-14-30-17-11-8-16(9-12-17)10-13-21(29)24-18-6-5-7-19-22(18)32-20(15-31-19)23-25-27-28-26-23/h5-13,20H,2,14-15H2,1H3,(H,24,29)(H,25,26,27,28)/b13-10+