(3E,5E)-4-oxidanylidene-1-phenyl-3,5-bis(pyridin-3-ylmethylidene)cyclohexane-1-carbonitrile

Systemtic Name: (3E,5E)-4-oxidanylidene-1-phenyl-3,5-bis(pyridin-3-ylmethylidene)cyclohexane-1-carbonitrile Openeye Name: (3E,5E)-4-oxo-1-phenyl-3,5-bis(3-pyridylmethylene)cyclohexanecarbonitrile CAS Name: (3E,5E)-4-oxo-1-phenyl-3,5-bis(3-pyridinylmethylidene)-1-cyclohexanecarbonitrile IUPAC Name: (3E,5E)-4-oxo-1-phenyl-3,5-bis(pyridin-3-ylmethylidene)cyclohexane-1-carbonitrile Traditional Name: (3E,5E)-4-keto-1-phenyl-3,5-bis(3-pyridylmethylene)cyclohexanecarbonitrile Formula: C25H19N3O MolecularWeight: 377.43786

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=CN=CC=C2)C(=O)C(=CC3=CN=CC=C3)CC1(C#N)C4=CC=CC=C4

Isomeric SMILES

C\1C(C/C(=C\C2=CN=CC=C2)/C(=O)/C1=C/C3=CN=CC=C3)(C4=CC=CC=C4)C#N

InChI

InChI=1S/C25H19N3O/c26-18-25(23-8-2-1-3-9-23)14-21(12-19-6-4-10-27-16-19)24(29)22(15-25)13-20-7-5-11-28-17-20/h1-13,16-17H,14-15H2/b21-12+,22-13+