2-fluoranyl-5-nitro-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide

Systemtic Name: 2-fluoranyl-5-nitro-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Openeye Name: 2-fluoro-5-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide CAS Name: 2-fluoro-5-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide IUPAC Name: 2-fluoro-5-nitro-N-(12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide Traditional Name: 2-fluoro-N-(12-keto-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)-5-nitro-benzamide Formula: C20H17FN4O4 MolecularWeight: 396.371783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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