4-tert-butyl-N-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-tert-butyl-N-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[2-(4-chlorophenyl)-4-oxo-3-quinazolinyl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[2-(4-chlorophenyl)-4-keto-quinazolin-3-yl]cyclohexanecarboxamide Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H28ClN3O2/c1-25(2,3)18-12-8-17(9-13-18)23(30)28-29-22(16-10-14-19(26)15-11-16)27-21-7-5-4-6-20(21)24(29)31/h4-7,10-11,14-15,17-18H,8-9,12-13H2,1-3H3,(H,28,30)