N-(4-fluoranyl-3-nitro-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-])C(=O)N2CC1

InChI

InChI=1S/C20H17FN4O4/c21-15-8-6-13(11-17(15)25(28)29)22-19(26)12-5-7-14-16(10-12)23-18-4-2-1-3-9-24(18)20(14)27/h5-8,10-11H,1-4,9H2,(H,22,26)