1-(furan-2-yl)-3-(phenylazanylmethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 1-(furan-2-yl)-3-(phenylazanylmethyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-(anilinomethyl)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-(anilinomethyl)-1-(2-furanyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-(anilinomethyl)-1-(furan-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-(anilinomethyl)-1-(2-furyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)CNC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)CNC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C21H19N3O/c22-13-18-16-9-4-5-10-17(16)21(20-11-6-12-25-20)24-19(18)14-23-15-7-2-1-3-8-15/h1-3,6-8,11-12,23H,4-5,9-10,14H2