3-[4-[(Z)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile

Systemtic Name: 3-[4-[(Z)-(2-methyl-4-oxidanylidene-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile Openeye Name: 3-[4-[(Z)-(2-methyl-4-oxo-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propanenitrile CAS Name: 3-[4-[(Z)-(2-methyl-4-oxo-3-quinazolinyl)iminomethyl]-3-phenyl-1-pyrazolyl]propanenitrile IUPAC Name: 3-[4-[(Z)-(2-methyl-4-oxoquinazolin-3-yl)iminomethyl]-3-phenylpyrazol-1-yl]propanenitrile Traditional Name: 3-[4-[(Z)-(4-keto-2-methyl-quinazolin-3-yl)iminomethyl]-3-phenyl-pyrazol-1-yl]propionitrile Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CN(N=C3C4=CC=CC=C4)CCC#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1/N=C\C3=CN(N=C3C4=CC=CC=C4)CCC#N

InChI

InChI=1S/C22H18N6O/c1-16-25-20-11-6-5-10-19(20)22(29)28(16)24-14-18-15-27(13-7-12-23)26-21(18)17-8-3-2-4-9-17/h2-6,8-11,14-15H,7,13H2,1H3/b24-14-