(phenylmethyl) 6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate

Systemtic Name: (phenylmethyl) 6-azanyl-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Openeye Name: benzyl 6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate CAS Name: 6-amino-5,7,7-tricyano-8-(3-furanyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-amino-5,7,7-tricyano-8-(furan-3-yl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate Traditional Name: 6-amino-5,7,7-tricyano-8-(3-furyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxylic acid benzyl ester Formula: C24H19N5O3 MolecularWeight: 425.43936

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4

Isomeric SMILES

C1C=C2C(CN1C(=O)OCC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=COC=C4

InChI

InChI=1S/C24H19N5O3/c25-10-19-18-6-8-29(23(30)32-12-16-4-2-1-3-5-16)11-20(18)21(17-7-9-31-13-17)24(14-26,15-27)22(19)28/h1-7,9,13,20-21H,8,11-12,28H2