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6-azanyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile; ethanol
6-azanyl-8-phenyl-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile; ethanol
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Descriptors Computed from Structure
Canonical SMILES:
CCO.C1C=C2C(CN1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3
Isomeric SMILES
CCO.C1C=C2C(CN1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3
InChI
InChI=1S/C18H15N5.C2H6O/c19-8-14-13-6-7-23-9-15(13)16(12-4-2-1-3-5-12)18(10-20,11-21)17(14)22;1-2-3/h1-6,15-16,23H,7,9,22H2;3H,2H2,1H3
Other Product
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