3-methyl-5-[(4-oxidanylidenequinazolin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 3-methyl-5-[(4-oxidanylidenequinazolin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]-1-phenyl-pyrazole-4-carbonitrile CAS Name: 3-methyl-5-[(4-oxo-3-quinazolinyl)methyl]-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 3-methyl-5-[(4-oxoquinazolin-3-yl)methyl]-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(4-ketoquinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O/c1-14-17(11-21)19(25(23-14)15-7-3-2-4-8-15)12-24-13-22-18-10-6-5-9-16(18)20(24)26/h2-10,13H,12H2,1H3