3-methyl-5-[(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(4-oxidanylidene-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(4-oxobenzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(4-oxo-3-benzofuro[3,2-d]pyrimidinyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-ketobenzofuro[3,2-d]pyrimidin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C22H15N5O2 MolecularWeight: 381.3868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)OC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C22H15N5O2/c1-14-17(11-23)18(27(25-14)15-7-3-2-4-8-15)12-26-13-24-20-16-9-5-6-10-19(16)29-21(20)22(26)28/h2-10,13H,12H2,1H3