1-(4-fluoranylnaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 1-(4-fluoranylnaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 1-(4-fluoro-2-naphthyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile CAS Name: 1-(4-fluoro-2-naphthalenyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 1-(4-fluoronaphthalen-2-yl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 1-(4-fluoro-2-naphthyl)-4-methyl-3,5-dihydro-2H-1,4-benzodiazepine-7-carbonitrile Formula: C21H18FN3 MolecularWeight: 331.386123

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C2=C(C1)C=C(C=C2)C#N)C3=CC4=CC=CC=C4C(=C3)F

Isomeric SMILES

CN1CCN(C2=C(C1)C=C(C=C2)C#N)C3=CC4=CC=CC=C4C(=C3)F

InChI

InChI=1S/C21H18FN3/c1-24-8-9-25(21-7-6-15(13-23)10-17(21)14-24)18-11-16-4-2-3-5-19(16)20(22)12-18/h2-7,10-12H,8-9,14H2,1H3