3-[2-cyanoethyl-[4-[(Z)-(5-oxidanylidene-2-phenyl-1-pyridin-2-yl-imidazol-4-ylidene)methyl]phenyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[4-[(Z)-(5-oxidanylidene-2-phenyl-1-pyridin-2-yl-imidazol-4-ylidene)methyl]phenyl]amino]propanenitrile Openeye Name: 3-[N-(2-cyanoethyl)-4-[(Z)-[5-oxo-2-phenyl-1-(2-pyridyl)imidazol-4-ylidene]methyl]anilino]propanenitrile CAS Name: 3-[N-(2-cyanoethyl)-4-[(Z)-[5-oxo-2-phenyl-1-(2-pyridinyl)-4-imidazolylidene]methyl]anilino]propanenitrile IUPAC Name: 3-[N-(2-cyanoethyl)-4-[(Z)-(5-oxo-2-phenyl-1-pyridin-2-ylimidazol-4-ylidene)methyl]anilino]propanenitrile Traditional Name: 3-[N-(2-cyanoethyl)-4-[(Z)-[5-keto-2-phenyl-1-(2-pyridyl)-2-imidazolin-4-ylidene]methyl]anilino]propionitrile Formula: C27H22N6O MolecularWeight: 446.50318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=N/C(=C\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)N2C4=CC=CC=N4

InChI

InChI=1S/C27H22N6O/c28-15-6-18-32(19-7-16-29)23-13-11-21(12-14-23)20-24-27(34)33(25-10-4-5-17-30-25)26(31-24)22-8-2-1-3-9-22/h1-5,8-14,17,20H,6-7,18-19H2/b24-20-