4-(azepan-1-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)ethanoyl]-3-nitro-benzohydrazide

Systemtic Name: 4-(azepan-1-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)ethanoyl]-3-nitro-benzohydrazide Openeye Name: 4-(azepan-1-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-nitro-benzohydrazide CAS Name: 4-(1-azepanyl)-N'-[2-(3,5-dimethyl-1-pyrazolyl)-1-oxoethyl]-3-nitrobenzohydrazide IUPAC Name: 4-(azepan-1-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-nitrobenzohydrazide Traditional Name: 4-(azepan-1-yl)-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]-3-nitro-benzohydrazide Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CC(=O)NNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C20H26N6O4/c1-14-11-15(2)25(23-14)13-19(27)21-22-20(28)16-7-8-17(18(12-16)26(29)30)24-9-5-3-4-6-10-24/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,21,27)(H,22,28)