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

Systemtic Name: 5-azanyl-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Openeye Name: 5-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile CAS Name: 5-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile IUPAC Name: 5-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Traditional Name: 5-amino-2-ethyl-8-(3-fluorophenyl)-1,3,8,8a-tetrahydroisoquinoline-6,7,7-tricarbonitrile Formula: C20H18FN5 MolecularWeight: 347.388823

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)F

Isomeric SMILES

CCN1CC=C2C(C1)C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)F

InChI

InChI=1S/C20H18FN5/c1-2-26-7-6-15-16(10-26)18(13-4-3-5-14(21)8-13)20(11-23,12-24)17(9-22)19(15)25/h3-6,8,16,18H,2,7,10,25H2,1H3