(E)-3-anthracen-9-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-anthracen-9-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-(9-anthryl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)prop-2-enenitrile CAS Name: (E)-3-(9-anthracenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-propenenitrile IUPAC Name: (E)-3-anthracen-9-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-(9-anthryl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-yl)acrylonitrile Formula: C24H20N4 MolecularWeight: 364.4424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NN=C(N2CC1)C(=CC3=C4C=CC=CC4=CC5=CC=CC=C53)C#N

Isomeric SMILES

C1CCC2=NN=C(N2CC1)/C(=C/C3=C4C=CC=CC4=CC5=CC=CC=C53)/C#N

InChI

InChI=1S/C24H20N4/c25-16-19(24-27-26-23-12-2-1-7-13-28(23)24)15-22-20-10-5-3-8-17(20)14-18-9-4-6-11-21(18)22/h3-6,8-11,14-15H,1-2,7,12-13H2/b19-15+