N-(4-nitrophenyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(4-nitrophenyl)-4-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclohexane-1-carboxamide Openeye Name: N-(4-nitrophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexanecarboxamide CAS Name: N-(4-nitrophenyl)-4-[(4-oxo-3-quinazolinyl)methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(4-nitrophenyl)-4-[(4-oxoquinazolin-3-yl)methyl]cyclohexane-1-carboxamide Traditional Name: 4-[(4-ketoquinazolin-3-yl)methyl]-N-(4-nitrophenyl)cyclohexanecarboxamide Formula: C22H22N4O4 MolecularWeight: 406.43448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(CCC1CN2C=NC3=CC=CC=C3C2=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4/c27-21(24-17-9-11-18(12-10-17)26(29)30)16-7-5-15(6-8-16)13-25-14-23-20-4-2-1-3-19(20)22(25)28/h1-4,9-12,14-16H,5-8,13H2,(H,24,27)