5-(4-azanyl-1-phenyl-butyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-(4-azanyl-1-phenyl-butyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-(4-amino-1-phenyl-butyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-(4-amino-1-phenylbutyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-(4-amino-1-phenylbutyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-(4-amino-1-phenyl-butyl)-4-[2-(1H-imidazol-5-yl)ethyl]-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C22H24N4O MolecularWeight: 360.45216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCN)C2C(=CC=C(C2=O)C#N)CCC3=CN=CN3

Isomeric SMILES

C1=CC=C(C=C1)C(CCCN)C2C(=CC=C(C2=O)C#N)CCC3=CN=CN3

InChI

InChI=1S/C22H24N4O/c23-12-4-7-20(16-5-2-1-3-6-16)21-17(8-9-18(13-24)22(21)27)10-11-19-14-25-15-26-19/h1-3,5-6,8-9,14-15,20-21H,4,7,10-12,23H2,(H,25,26)