5-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[[6,8-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(6,8-dichloro-4-oxo-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(6,8-dichloro-4-oxo-3-quinazolinyl)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(6,8-dichloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(6,8-dichloro-4-keto-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H13Cl2N5O MolecularWeight: 410.25612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13Cl2N5O/c1-12-16(9-23)18(27(25-12)14-5-3-2-4-6-14)10-26-11-24-19-15(20(26)28)7-13(21)8-17(19)22/h2-8,11H,10H2,1H3