3-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile

Systemtic Name: 3-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Openeye Name: 3-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile CAS Name: 3-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile IUPAC Name: 3-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Traditional Name: 3-(4-fluorobenzyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carbonitrile Formula: C17H16FN3 MolecularWeight: 281.327443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C(N1)C=CC(=C2)C#N)CC3=CC=C(C=C3)F

Isomeric SMILES

C1C(NCC2=C(N1)C=CC(=C2)C#N)CC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3/c18-15-4-1-12(2-5-15)8-16-11-21-17-6-3-13(9-19)7-14(17)10-20-16/h1-7,16,20-21H,8,10-11H2