6-azanyl-8-(2-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-ethoxyphenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-2-ethyl-8-o-phenetyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C22H23N5O MolecularWeight: 373.45092

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OCC

Isomeric SMILES

CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OCC

InChI

InChI=1S/C22H23N5O/c1-3-27-10-9-15-17(11-23)21(26)22(13-24,14-25)20(18(15)12-27)16-7-5-6-8-19(16)28-4-2/h5-9,18,20H,3-4,10,12,26H2,1-2H3