2-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]-2,2-dicyclohexyl-ethanenitrile

Systemtic Name: 2-[3,5-bis(oxidanylidene)-1,2-diphenyl-pyrazolidin-4-yl]-2,2-dicyclohexyl-ethanenitrile Openeye Name: 2,2-dicyclohexyl-2-(3,5-dioxo-1,2-diphenyl-pyrazolidin-4-yl)acetonitrile CAS Name: 2,2-dicyclohexyl-2-(3,5-dioxo-1,2-diphenyl-4-pyrazolidinyl)acetonitrile IUPAC Name: 2,2-dicyclohexyl-2-(3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)acetonitrile Traditional Name: 2,2-dicyclohexyl-2-(3,5-diketo-1,2-diphenyl-pyrazolidin-4-yl)acetonitrile Formula: C29H33N3O2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C#N)(C2CCCCC2)C3C(=O)N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(C#N)(C2CCCCC2)C3C(=O)N(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O2/c30-21-29(22-13-5-1-6-14-22,23-15-7-2-8-16-23)26-27(33)31(24-17-9-3-10-18-24)32(28(26)34)25-19-11-4-12-20-25/h3-4,9-12,17-20,22-23,26H,1-2,5-8,13-16H2