4-(1-diphenylphosphanylethyl)-1-(phenylmethyl)cyclohexa-2,5-diene-1-carbonitrile

Systemtic Name: 4-(1-diphenylphosphanylethyl)-1-(phenylmethyl)cyclohexa-2,5-diene-1-carbonitrile Openeye Name: 1-benzyl-4-(1-diphenylphosphanylethyl)cyclohexa-2,5-diene-1-carbonitrile CAS Name: 4-(1-diphenylphosphinoethyl)-1-(phenylmethyl)-1-cyclohexa-2,5-dienecarbonitrile IUPAC Name: 1-benzyl-4-(1-diphenylphosphanylethyl)cyclohexa-2,5-diene-1-carbonitrile Traditional Name: 1-benzyl-4-(1-diphenylphosphinoethyl)cyclohexa-2,5-diene-1-carbonitrile Formula: C28H26NP MolecularWeight: 407.486501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C=CC(C=C1)(CC2=CC=CC=C2)C#N)P(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C1C=CC(C=C1)(CC2=CC=CC=C2)C#N)P(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26NP/c1-23(30(26-13-7-3-8-14-26)27-15-9-4-10-16-27)25-17-19-28(22-29,20-18-25)21-24-11-5-2-6-12-24/h2-20,23,25H,21H2,1H3