N-[(Z)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-fluoranyl-benzamide

Systemtic Name: N-[(Z)-[2-(azepan-1-yl)-5-nitro-phenyl]methylideneamino]-4-fluoranyl-benzamide Openeye Name: N-[(Z)-[2-(azepan-1-yl)-5-nitro-phenyl]methyleneamino]-4-fluoro-benzamide CAS Name: N-[(Z)-[2-(1-azepanyl)-5-nitrophenyl]methylideneamino]-4-fluorobenzamide IUPAC Name: N-[(Z)-[2-(azepan-1-yl)-5-nitrophenyl]methylideneamino]-4-fluorobenzamide Traditional Name: N-[(Z)-[2-(azepan-1-yl)-5-nitro-benzylidene]amino]-4-fluoro-benzamide Formula: C20H21FN4O3 MolecularWeight: 384.404143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=NNC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N\NC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H21FN4O3/c21-17-7-5-15(6-8-17)20(26)23-22-14-16-13-18(25(27)28)9-10-19(16)24-11-3-1-2-4-12-24/h5-10,13-14H,1-4,11-12H2,(H,23,26)/b22-14-