5-(4-imidazol-1-yl-1-phenyl-butyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(4-imidazol-1-yl-1-phenyl-butyl)-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(4-imidazol-1-yl-1-phenyl-butyl)-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[4-(1-imidazolyl)-1-phenylbutyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(4-imidazol-1-yl-1-phenylbutyl)-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(4-imidazol-1-yl-1-phenyl-butyl)-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C20H19N3O MolecularWeight: 317.38436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN2C=CN=C2)C3C=CC=C(C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN2C=CN=C2)C3C=CC=C(C3=O)C#N

InChI

InChI=1S/C20H19N3O/c21-14-17-8-4-9-19(20(17)24)18(16-6-2-1-3-7-16)10-5-12-23-13-11-22-15-23/h1-4,6-9,11,13,15,18-19H,5,10,12H2