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

Systemtic Name: (E)-3-[5-(4-ethanoylphenyl)furan-2-yl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Openeye Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile CAS Name: (E)-3-[5-(4-acetylphenyl)-2-furanyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-(4-acetylphenyl)furan-2-yl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile Traditional Name: (E)-3-[5-(4-acetylphenyl)-2-furyl]-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acrylonitrile Formula: C22H20N4O2 MolecularWeight: 372.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C3=NN=C4N3CCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C3=NN=C4N3CCCCC4

InChI

InChI=1S/C22H20N4O2/c1-15(27)16-6-8-17(9-7-16)20-11-10-19(28-20)13-18(14-23)22-25-24-21-5-3-2-4-12-26(21)22/h6-11,13H,2-5,12H2,1H3/b18-13+