(2E)-4-azanyl-2-[4-(4-fluorophenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile

Systemtic Name: (2E)-4-azanyl-2-[4-(4-fluorophenyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Openeye Name: (2E)-4-amino-2-[4-(4-fluorophenyl)-6-oxo-cyclohexa-2,4-dien-1-ylidene]-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile CAS Name: (2E)-4-amino-2-[4-(4-fluorophenyl)-6-oxo-1-cyclohexa-2,4-dienylidene]-6-(3-piperidinyl)-1H-pyrimidine-5-carbonitrile IUPAC Name: (2E)-4-amino-2-[4-(4-fluorophenyl)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-piperidin-3-yl-1H-pyrimidine-5-carbonitrile Traditional Name: (2E)-4-amino-2-[4-(4-fluorophenyl)-6-keto-cyclohexa-2,4-dien-1-ylidene]-6-(3-piperidyl)-1H-pyrimidine-5-carbonitrile Formula: C22H20FN5O MolecularWeight: 389.425503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)C2=C(C(=NC(=C3C=CC(=CC3=O)C4=CC=C(C=C4)F)N2)N)C#N

Isomeric SMILES

C1CC(CNC1)C2=C(C(=N/C(=C/3\C=CC(=CC3=O)C4=CC=C(C=C4)F)/N2)N)C#N

InChI

InChI=1S/C22H20FN5O/c23-16-6-3-13(4-7-16)14-5-8-17(19(29)10-14)22-27-20(15-2-1-9-26-12-15)18(11-24)21(25)28-22/h3-8,10,15,26-27H,1-2,9,12H2,(H2,25,28)/b22-17+