(E)-3-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-propenenitrile IUPAC Name: (E)-3-(4-ethoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Traditional Name: (E)-3-p-phenetyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acrylonitrile Formula: C18H20N4O MolecularWeight: 308.3776

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C2=NN=C3N2CCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NN=C3N2CCCCC3

InChI

InChI=1S/C18H20N4O/c1-2-23-16-9-7-14(8-10-16)12-15(13-19)18-21-20-17-6-4-3-5-11-22(17)18/h7-10,12H,2-6,11H2,1H3/b15-12+