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

Systemtic Name: 4-tert-butyl-N-[2-(3-nitrophenyl)-4-oxidanylidene-quinazolin-3-yl]cyclohexane-1-carboxamide Openeye Name: 4-tert-butyl-N-[2-(3-nitrophenyl)-4-oxo-quinazolin-3-yl]cyclohexanecarboxamide CAS Name: 4-tert-butyl-N-[2-(3-nitrophenyl)-4-oxo-3-quinazolinyl]-1-cyclohexanecarboxamide IUPAC Name: 4-tert-butyl-N-[2-(3-nitrophenyl)-4-oxoquinazolin-3-yl]cyclohexane-1-carboxamide Traditional Name: 4-tert-butyl-N-[4-keto-2-(3-nitrophenyl)quinazolin-3-yl]cyclohexanecarboxamide Formula: C25H28N4O4 MolecularWeight: 448.51422

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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(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H28N4O4/c1-25(2,3)18-13-11-16(12-14-18)23(30)27-28-22(17-7-6-8-19(15-17)29(32)33)26-21-10-5-4-9-20(21)24(28)31/h4-10,15-16,18H,11-14H2,1-3H3,(H,27,30)