N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide CAS Name: N-[2-(1-azepanyl)phenyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetamide Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2N3CCCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)NC2=CC=CC=C2N3CCCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O3/c1-14-19(24(26)27)15(2)23(21-14)13-18(25)20-16-9-5-6-10-17(16)22-11-7-3-4-8-12-22/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H,20,25)