azocan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone

Systemtic Name: azocan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone Openeye Name: azocan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone CAS Name: 1-azocanyl-[4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]phenyl]methanone IUPAC Name: azocan-1-yl-[4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]phenyl]methanone Traditional Name: azocan-1-yl-[4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]phenyl]methanone Formula: C20H26N4O3 MolecularWeight: 370.44544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCCC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)N3CCCCCCC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3/c1-15-19(24(26)27)16(2)23(21-15)14-17-8-10-18(11-9-17)20(25)22-12-6-4-3-5-7-13-22/h8-11H,3-7,12-14H2,1-2H3