(8aR)-6-azanylidene-2-ethyl-8-(1-ethylpiperidin-4-ylidene)-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile

Systemtic Name: (8aR)-6-azanylidene-2-ethyl-8-(1-ethylpiperidin-4-ylidene)-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile Openeye Name: (8aR)-2-ethyl-8-(1-ethyl-4-piperidylidene)-6-imino-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile CAS Name: (8aR)-2-ethyl-8-(1-ethyl-4-piperidinylidene)-6-imino-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile IUPAC Name: (8aR)-2-ethyl-8-(1-ethylpiperidin-4-ylidene)-6-imino-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile Traditional Name: (8aR)-2-ethyl-8-(1-ethyl-4-piperidylidene)-6-imino-3,8a-dihydro-1H-isoquinoline-5,5,7-tricarbonitrile Formula: C21H26N6 MolecularWeight: 362.47134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=C2C3CN(CC=C3C(C(=N)C2C#N)(C#N)C#N)CC)CC1

Isomeric SMILES

CCN1CCC(=C2[C@H]3CN(CC=C3C(C(=N)C2C#N)(C#N)C#N)CC)CC1

InChI

InChI=1S/C21H26N6/c1-3-26-8-5-15(6-9-26)19-16(11-22)20(25)21(13-23,14-24)18-7-10-27(4-2)12-17(18)19/h7,16-17,25H,3-6,8-10,12H2,1-2H3/t16?,17-/m0/s1