5-chloranyl-N,3-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-chloranyl-N,3-dimethyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-chloro-N,3-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-chloro-N,3-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-chloro-N,3-dimethyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-chloro-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N,3-dimethyl-1-phenyl-pyrazole-4-carboxamide Formula: C21H18ClN5O2 MolecularWeight: 407.85292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N(C)CC2=NC(=O)C3=CC=CC=C3N2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O2/c1-13-18(19(22)27(25-13)14-8-4-3-5-9-14)21(29)26(2)12-17-23-16-11-7-6-10-15(16)20(28)24-17/h3-11H,12H2,1-2H3,(H,23,24,28)