6-azanylidene-3-butyl-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-3-butyl-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-3-butyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-butyl-6-imino-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-3-butyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-3-butyl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCC1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C21H22N4O2/c1-3-4-10-17-20(12-22,13-23)21(14-24)16(11-15-8-6-5-7-9-15)19(2,26-17)27-18(21)25/h5-9,16-17,25H,3-4,10-11H2,1-2H3