4-[3-(2-cyanoethyl)-1,2-diazirin-3-yl]-1-cyclohexyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidine-4-carbonitrile

Systemtic Name: 4-[3-(2-cyanoethyl)-1,2-diazirin-3-yl]-1-cyclohexyl-3,5-bis(oxidanylidene)-2-phenyl-pyrazolidine-4-carbonitrile Openeye Name: 4-[3-(2-cyanoethyl)diazirin-3-yl]-1-cyclohexyl-3,5-dioxo-2-phenyl-pyrazolidine-4-carbonitrile CAS Name: 4-[3-(2-cyanoethyl)-3-diazirinyl]-1-cyclohexyl-3,5-dioxo-2-phenyl-4-pyrazolidinecarbonitrile IUPAC Name: 4-[3-(2-cyanoethyl)diazirin-3-yl]-1-cyclohexyl-3,5-dioxo-2-phenylpyrazolidine-4-carbonitrile Traditional Name: 4-[3-(2-cyanoethyl)diazirin-3-yl]-1-cyclohexyl-3,5-diketo-2-phenyl-pyrazolidine-4-carbonitrile Formula: C20H20N6O2 MolecularWeight: 376.4118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)(C#N)C4(N=N4)CCC#N

Isomeric SMILES

C1CCC(CC1)N2C(=O)C(C(=O)N2C3=CC=CC=C3)(C#N)C4(N=N4)CCC#N

InChI

InChI=1S/C20H20N6O2/c21-13-7-12-20(23-24-20)19(14-22)17(27)25(15-8-3-1-4-9-15)26(18(19)28)16-10-5-2-6-11-16/h1,3-4,8-9,16H,2,5-7,10-12H2