(2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)-4-naphthalen-1-yloxy-3-oxidanylidene-butanenitrile

Systemtic Name: (2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)-4-naphthalen-1-yloxy-3-oxidanylidene-butanenitrile Openeye Name: (2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)-4-(1-naphthyloxy)-3-oxo-butanenitrile CAS Name: (2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)-4-(1-naphthalenyloxy)-3-oxobutanenitrile IUPAC Name: (2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazolo[4,3-a]azepin-3-ylidene)-4-naphthalen-1-yloxy-3-oxobutanenitrile Traditional Name: (2Z)-2-(2,5,6,7,8,9-hexahydro-[1,2,4]triazol[4,3-a]azepin-3-ylidene)-3-keto-4-(1-naphthoxy)butyronitrile Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NNC(=C(C#N)C(=O)COC3=CC=CC4=CC=CC=C43)N2CC1

Isomeric SMILES

C1CCC2=NN/C(=C(/C#N)\C(=O)COC3=CC=CC4=CC=CC=C43)/N2CC1

InChI

InChI=1S/C21H20N4O2/c22-13-17(21-24-23-20-11-2-1-5-12-25(20)21)18(26)14-27-19-10-6-8-15-7-3-4-9-16(15)19/h3-4,6-10,24H,1-2,5,11-12,14H2/b21-17+