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

Systemtic Name: 3-[[4-[(Z)-[1-(4-chlorophenyl)-5-oxidanylidene-2-(phenoxymethyl)imidazol-4-ylidene]methyl]phenyl]-(2-cyanoethyl)amino]propanenitrile Openeye Name: 3-[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-2-(phenoxymethyl)imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile CAS Name: 3-[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-2-(phenoxymethyl)-4-imidazolylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile IUPAC Name: 3-[4-[(Z)-[1-(4-chlorophenyl)-5-oxo-2-(phenoxymethyl)imidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile Traditional Name: 3-[4-[(Z)-[1-(4-chlorophenyl)-5-keto-2-(phenoxymethyl)-2-imidazolin-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propionitrile Formula: C29H24ClN5O2 MolecularWeight: 509.98616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC2=N/C(=C\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H24ClN5O2/c30-23-10-14-25(15-11-23)35-28(21-37-26-6-2-1-3-7-26)33-27(29(35)36)20-22-8-12-24(13-9-22)34(18-4-16-31)19-5-17-32/h1-3,6-15,20H,4-5,18-19,21H2/b27-20-