phenyl 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxylate

Systemtic Name: phenyl 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxylate Openeye Name: phenyl 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxylate CAS Name: 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxylic acid phenyl ester IUPAC Name: phenyl 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-3-carboxylate Traditional Name: 1,1-dicyano-2-(3-fluorophenyl)-10-methyl-3,10b-dihydro-2H-pyrrol[2,1-a]isoquinoline-3-carboxylic acid phenyl ester Formula: C28H20FN3O2 MolecularWeight: 449.475703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C3C(C(C(N3C=C2)C(=O)OC4=CC=CC=C4)C5=CC(=CC=C5)F)(C#N)C#N

Isomeric SMILES

CC1=CC=CC2=C1C3C(C(C(N3C=C2)C(=O)OC4=CC=CC=C4)C5=CC(=CC=C5)F)(C#N)C#N

InChI

InChI=1S/C28H20FN3O2/c1-18-7-5-8-19-13-14-32-25(27(33)34-22-11-3-2-4-12-22)24(20-9-6-10-21(29)15-20)28(16-30,17-31)26(32)23(18)19/h2-15,24-26H,1H3