4-(azepan-1-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-cyano-2-methyl-3-pyrazolyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-cyano-2-methylpyrazol-3-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-cyano-2-methyl-pyrazol-3-yl)-3-nitro-benzamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C=N1)C#N)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-22-17(14(11-19)12-20-22)21-18(25)13-6-7-15(16(10-13)24(26)27)23-8-4-2-3-5-9-23/h6-7,10,12H,2-5,8-9H2,1H3,(H,21,25)