6-azanyl-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(3,4-diethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3CNCC=C3C(=C(C2(C#N)C#N)N)C#N)OCC

InChI

InChI=1S/C22H23N5O2/c1-3-28-18-6-5-14(9-19(18)29-4-2)20-17-11-27-8-7-15(17)16(10-23)21(26)22(20,12-24)13-25/h5-7,9,17,20,27H,3-4,8,11,26H2,1-2H3