4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(2-oxidanylideneazepan-3-yl)benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-3-nitro-N-(2-oxidanylideneazepan-3-yl)benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(2-oxoazepan-3-yl)benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-3-nitro-N-(2-oxo-3-azepanyl)benzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-3-nitro-N-(2-oxoazepan-3-yl)benzamide Traditional Name: 4-(4-acetylpiperazino)-N-(2-ketoazepan-3-yl)-3-nitro-benzamide Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCCCNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3CCCCNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O5/c1-13(25)22-8-10-23(11-9-22)16-6-5-14(12-17(16)24(28)29)18(26)21-15-4-2-3-7-20-19(15)27/h5-6,12,15H,2-4,7-11H2,1H3,(H,20,27)(H,21,26)