4-[2-(1H-imidazol-5-yl)-2-[3-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(1H-imidazol-5-yl)-2-[3-oxidanylidene-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-(1H-imidazol-5-yl)-2-(3-oxo-4-tetralin-5-yl-piperazin-1-yl)ethyl]benzonitrile CAS Name: 4-[2-(1H-imidazol-5-yl)-2-[3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-piperazinyl]ethyl]benzonitrile IUPAC Name: 4-[2-(1H-imidazol-5-yl)-2-[3-oxo-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzonitrile Traditional Name: 4-[2-(1H-imidazol-5-yl)-2-(3-keto-4-tetralin-5-yl-piperazino)ethyl]benzonitrile Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=CC=C2N3CCN(CC3=O)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

Isomeric SMILES

C1CCC2=C(C1)C=CC=C2N3CCN(CC3=O)C(CC4=CC=C(C=C4)C#N)C5=CN=CN5

InChI

InChI=1S/C26H27N5O/c27-15-20-10-8-19(9-11-20)14-25(23-16-28-18-29-23)30-12-13-31(26(32)17-30)24-7-3-5-21-4-1-2-6-22(21)24/h3,5,7-11,16,18,25H,1-2,4,6,12-14,17H2,(H,28,29)