3-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole

Systemtic Name: 3-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Openeye Name: 3-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole CAS Name: 3-(1-adamantyl)-1-(2-methyl-5-nitrophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole IUPAC Name: 3-(1-adamantyl)-1-(2-methyl-5-nitrophenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Traditional Name: 3-(1-adamantyl)-1-(2-methyl-5-nitro-phenyl)-4,5-dihydro-2H-pyrrolo[2,3-c]pyrazole Formula: C22H26N4O2 MolecularWeight: 378.46744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCC3=C(N2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=NCCC3=C(N2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C22H26N4O2/c1-13-2-3-17(26(27)28)9-19(13)25-21-18(4-5-23-21)20(24-25)22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16,24H,4-8,10-12H2,1H3