6-azanyl-8-cyclohex-2-en-1-yl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-cyclohex-2-en-1-yl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-cyclohex-2-en-1-yl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(1-cyclohex-2-enyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-cyclohex-2-en-1-yl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-cyclohex-2-en-1-yl-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H25N5 MolecularWeight: 347.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3CCCC=C3

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3CCCC=C3

InChI

InChI=1S/C21H25N5/c1-2-9-26-10-8-16-17(11-22)20(25)21(13-23,14-24)19(18(16)12-26)15-6-4-3-5-7-15/h4,6,8,15,18-19H,2-3,5,7,9-10,12,25H2,1H3