N-[2-(azepan-1-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[2-(1-azepanyl)ethyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H29N5O3 MolecularWeight: 399.48666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCCN3CCCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H29N5O3/c1-16-20(26(28)29)17(2)25(23-16)15-18-7-9-19(10-8-18)21(27)22-11-14-24-12-5-3-4-6-13-24/h7-10H,3-6,11-15H2,1-2H3,(H,22,27)