5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile

Systemtic Name: 5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile Openeye Name: 5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile CAS Name: 5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile IUPAC Name: 5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile Traditional Name: 5-phenyl-1,2,3,4,6,8a-hexahydroisoquinoline-8-carbonitrile Formula: C16H16N2 MolecularWeight: 236.31164

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC2C1=C(CC=C2C#N)C3=CC=CC=C3

Isomeric SMILES

C1CNCC2C1=C(CC=C2C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2/c17-10-13-6-7-14(12-4-2-1-3-5-12)15-8-9-18-11-16(13)15/h1-6,16,18H,7-9,11H2