6-azanyl-8-(2-chloranyl-6-fluoranyl-phenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile

Systemtic Name: 6-azanyl-8-(2-chloranyl-6-fluoranyl-phenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Openeye Name: 6-amino-8-(2-chloro-6-fluoro-phenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile CAS Name: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile IUPAC Name: 6-amino-8-(2-chloro-6-fluorophenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Traditional Name: 6-amino-8-(2-chloro-6-fluoro-phenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile Formula: C21H19ClFN5 MolecularWeight: 395.860463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClFN5/c1-2-7-28-8-6-13-14(9-24)20(27)21(11-25,12-26)19(15(13)10-28)18-16(22)4-3-5-17(18)23/h3-6,15,19H,2,7-8,10,27H2,1H3