6-oxidanylidene-5-[4-(3-oxidanylpropylamino)-1-phenyl-butyl]cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 6-oxidanylidene-5-[4-(3-oxidanylpropylamino)-1-phenyl-butyl]cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[4-(3-hydroxypropylamino)-1-phenyl-butyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[4-(3-hydroxypropylamino)-1-phenylbutyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[4-(3-hydroxypropylamino)-1-phenylbutyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[4-(3-hydroxypropylamino)-1-phenyl-butyl]-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCNCCCO)C2C=CC=C(C2=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(CCCNCCCO)C2C=CC=C(C2=O)C#N

InChI

InChI=1S/C20H24N2O2/c21-15-17-9-4-10-19(20(17)24)18(16-7-2-1-3-8-16)11-5-12-22-13-6-14-23/h1-4,7-10,18-19,22-23H,5-6,11-14H2