6-azanyl-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol

Systemtic Name: 6-azanyl-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Openeye Name: 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol CAS Name: 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol IUPAC Name: 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Traditional Name: 6-amino-8-(2-chlorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile; ethanol Formula: C23H26ClN5O MolecularWeight: 423.93844

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)C3=CC=CC=C3Cl.CCO

Isomeric SMILES

CCCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3Cl.CCO

InChI

InChI=1S/C21H20ClN5.C2H6O/c1-2-8-27-9-7-14-16(10-23)20(26)21(12-24,13-25)19(17(14)11-27)15-5-3-4-6-18(15)22;1-2-3/h3-7,17,19H,2,8-9,11,26H2,1H3;3H,2H2,1H3