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

Systemtic Name: 6-azanylidene-3-heptan-3-yl-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 8-benzyl-3-(1-ethylpentyl)-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-heptan-3-yl-6-imino-1-methyl-8-(phenylmethyl)-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 8-benzyl-3-heptan-3-yl-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 8-benzyl-3-(1-ethylpentyl)-6-imino-1-methyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C24H28N4O2 MolecularWeight: 404.50472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

Isomeric SMILES

CCCCC(CC)C1C(C2(C(C(O1)(OC2=N)C)CC3=CC=CC=C3)C#N)(C#N)C#N

InChI

InChI=1S/C24H28N4O2/c1-4-6-12-18(5-2)20-23(14-25,15-26)24(16-27)19(13-17-10-8-7-9-11-17)22(3,29-20)30-21(24)28/h7-11,18-20,28H,4-6,12-13H2,1-3H3