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

Systemtic Name: 3-[8-(2-fluorophenyl)-7-(hydroxymethyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[8-(2-fluorophenyl)-7-(hydroxymethyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[8-(2-fluorophenyl)-7-(hydroxymethyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[8-(2-fluorophenyl)-7-(hydroxymethyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[8-(2-fluorophenyl)-2-keto-7-methylol-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C23H16FN3O2 MolecularWeight: 385.390443

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C(=C2)CO)C3=CC=CC=C3F)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C(=C2)CO)C3=CC=CC=C3F)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H16FN3O2/c24-19-7-2-1-6-17(19)18-10-22-21(9-16(18)13-28)26-20(11-23(29)27-22)15-5-3-4-14(8-15)12-25/h1-10,28H,11,13H2,(H,27,29)