2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile Openeye Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile CAS Name: 2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-(4-fluorophenyl)-3-pyrrolecarbonitrile IUPAC Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile Traditional Name: 2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(4-fluorophenyl)pyrrole-3-carbonitrile Formula: C21H16FN3O MolecularWeight: 345.369643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=C(C=C4)F)C#N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=C(C=CN3C4=CC=C(C=C4)F)C#N

InChI

InChI=1S/C21H16FN3O/c22-18-5-7-19(8-6-18)25-12-10-16(13-23)20(25)21(26)24-11-9-15-3-1-2-4-17(15)14-24/h1-8,10,12H,9,11,14H2