N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-oxo-pyridine-3-carboxamide CAS Name: N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-oxo-3-pyridinecarboxamide IUPAC Name: N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-oxopyridine-3-carboxamide Traditional Name: N-[3,3-bis(4-fluorophenyl)propyl]-1-(cyanomethyl)-6-keto-nicotinamide Formula: C23H19F2N3O2 MolecularWeight: 407.412666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCNC(=O)C2=CN(C(=O)C=C2)CC#N)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCNC(=O)C2=CN(C(=O)C=C2)CC#N)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C23H19F2N3O2/c24-19-6-1-16(2-7-19)21(17-3-8-20(25)9-4-17)11-13-27-23(30)18-5-10-22(29)28(15-18)14-12-26/h1-10,15,21H,11,13-14H2,(H,27,30)