5-[(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile

Systemtic Name: 5-[(7-chloranyl-4-oxidanylidene-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Openeye Name: 5-[(7-chloro-4-oxo-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile CAS Name: 5-[(7-chloro-4-oxo-3-quinazolinyl)methyl]-3-methyl-1-phenyl-4-pyrazolecarbonitrile IUPAC Name: 5-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-3-methyl-1-phenylpyrazole-4-carbonitrile Traditional Name: 5-[(7-chloro-4-keto-quinazolin-3-yl)methyl]-3-methyl-1-phenyl-pyrazole-4-carbonitrile Formula: C20H14ClN5O MolecularWeight: 375.81106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C=NC3=C(C2=O)C=CC(=C3)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H14ClN5O/c1-13-17(10-22)19(26(24-13)15-5-3-2-4-6-15)11-25-12-23-18-9-14(21)7-8-16(18)20(25)27/h2-9,12H,11H2,1H3