(3R)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(3,5-dimethylpyrazol-1-yl)-4-nitro-butan-1-one

Systemtic Name: (3R)-3-(3-cyclopentyloxy-4-methoxy-phenyl)-1-(3,5-dimethylpyrazol-1-yl)-4-nitro-butan-1-one Openeye Name: (3R)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(3,5-dimethylpyrazol-1-yl)-4-nitro-butan-1-one CAS Name: (3R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3,5-dimethyl-1-pyrazolyl)-4-nitro-1-butanone IUPAC Name: (3R)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3,5-dimethylpyrazol-1-yl)-4-nitrobutan-1-one Traditional Name: (3R)-3-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-(3,5-dimethylpyrazol-1-yl)-4-nitro-butan-1-one Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(=O)CC(C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC3CCCC3)C

Isomeric SMILES

CC1=CC(=NN1C(=O)C[C@@H](C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC3CCCC3)C

InChI

InChI=1S/C21H27N3O5/c1-14-10-15(2)24(22-14)21(25)12-17(13-23(26)27)16-8-9-19(28-3)20(11-16)29-18-6-4-5-7-18/h8-11,17-18H,4-7,12-13H2,1-3H3/t17-/m0/s1