3-[cyano-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[cyano-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[cyano-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[cyano-[4-(1-oxo-3,3-diphenylpropyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[cyano-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[cyano-[4-(3,3-diphenylpropanoyl)piperazino]methyl]benzonitrile Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C#N)C2=CC=CC(=C2)C#N)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(C#N)C2=CC=CC(=C2)C#N)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N4O/c29-20-22-8-7-13-25(18-22)27(21-30)31-14-16-32(17-15-31)28(33)19-26(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-13,18,26-27H,14-17,19H2