(E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile CAS Name: (E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-hexoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acrylonitrile Formula: C22H28N4O MolecularWeight: 364.48392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NN=C3N2CCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NN=C3N2CCCCC3

InChI

InChI=1S/C22H28N4O/c1-2-3-4-8-15-27-20-12-10-18(11-13-20)16-19(17-23)22-25-24-21-9-6-5-7-14-26(21)22/h10-13,16H,2-9,14-15H2,1H3/b19-16+