1,3-dihydroisoindol-2-yl-[2-[1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]methanone

Systemtic Name: 1,3-dihydroisoindol-2-yl-[2-[1-(2,5-dimethyl-4-nitro-pyrazol-3-yl)carbonylpiperidin-4-yl]-6-methyl-pyridin-3-yl]methanone Openeye Name: [2-[1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-4-piperidyl]-6-methyl-3-pyridyl]-isoindolin-2-yl-methanone CAS Name: 1,3-dihydroisoindol-2-yl-[2-[1-[(2,5-dimethyl-4-nitro-3-pyrazolyl)-oxomethyl]-4-piperidinyl]-6-methyl-3-pyridinyl]methanone IUPAC Name: 1,3-dihydroisoindol-2-yl-[2-[1-(2,5-dimethyl-4-nitropyrazole-3-carbonyl)piperidin-4-yl]-6-methylpyridin-3-yl]methanone Traditional Name: [2-[1-(2,5-dimethyl-4-nitro-pyrazole-3-carbonyl)-4-piperidyl]-6-methyl-3-pyridyl]-isoindolin-2-yl-methanone Formula: C26H28N6O4 MolecularWeight: 488.53832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C5=C(C(=NN5C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CC3=CC=CC=C3C2)C4CCN(CC4)C(=O)C5=C(C(=NN5C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H28N6O4/c1-16-8-9-21(25(33)31-14-19-6-4-5-7-20(19)15-31)22(27-16)18-10-12-30(13-11-18)26(34)24-23(32(35)36)17(2)28-29(24)3/h4-9,18H,10-15H2,1-3H3