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

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

CCCCC1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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