3-[8-(2-fluorophenyl)-7-(2-methoxyethoxy)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[8-(2-fluorophenyl)-7-(2-methoxyethoxy)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-fluorophenyl)-7-(2-methoxyethoxy)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-fluorophenyl)-7-(2-methoxyethoxy)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-fluorophenyl)-7-(2-methoxyethoxy)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(2-fluorophenyl)-2-keto-7-(2-methoxyethoxy)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C25H20FN3O3 MolecularWeight: 429.443003

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=CC2=C(C=C1C3=CC=CC=C3F)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

Isomeric SMILES

COCCOC1=CC2=C(C=C1C3=CC=CC=C3F)NC(=O)CC(=N2)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H20FN3O3/c1-31-9-10-32-24-13-23-22(12-19(24)18-7-2-3-8-20(18)26)29-25(30)14-21(28-23)17-6-4-5-16(11-17)15-27/h2-8,11-13H,9-10,14H2,1H3,(H,29,30)